Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
LIPK_CYS (2018 - Leishmania - Leishmania kinases with cystein in binding site)
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3D Models
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Full name of ligand selected in the comparative docking column:
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Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
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‹μMol
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‹mMol
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Query Sequence
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Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
ADP - [nb=53] --> ADENOSINE-5'-DIPHOSPHATE
ANP - [nb=45] --> .....ONIC ACID-ADENYLATE ESTER
ATP - [nb=23] --> ADENOSINE-5'-TRIPHOSPHATE
STU - [nb=18] --> STAUROSPORINE
EDO - [nb=13] --> 1,2-ETHANEDIOL
37J - [nb=11] --> .....,3-thiazole-4-carboxamide
4WE - [nb=10] --> .....idin-1-yl)ethyl]benzamide
0CK - [nb=10] --> .....OL-5-YL]PYRIMIDIN-2-AMINE
6G2 - [nb=8] --> .....l)methoxy]pyridin-2-amine
38R - [nb=7] --> .....AMINO)PHENYL]ACETONITRILE
DKI - [nb=6] --> .....TRIAZOLE-1-CARBOTHIOAMIDE
07U - [nb=6] --> .....-1-YL]PROPANE-1,2-DIAMINE
1QG - [nb=6] --> .....L]PYRIDIN-2-YL}MORPHOLINE
1QM - [nb=6] --> .....RIDO[2,3-F][1,4]OXAZEPINE
CQ8 - [nb=6] --> .....AMINO]-N-METHYL-BENZAMIDE
16W - [nb=6] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
DTQ - [nb=6] --> .....-6,7-DIMETHOXYQUINAZOLINE
RRC - [nb=6] --> R-ROSCOVITINE
9WG - [nb=6] --> .....rrolo[3,4-b]pyridin-5-one
TT4 - [nb=6] --> .....,2,4-triazole-3,5-diamine
GOL - [nb=6] --> GLYCEROL
046 - [nb=5] --> .....O-1H-INDOLE-1-CARBOXAMIDE
ED8 - [nb=5] --> .....Y}THIOPHENE-2-CARBOXAMIDE
0XZ - [nb=5] --> .....)PIPERIDINE-4-CARBOXAMIDE
YIX - [nb=5] --> .....6-YL]SULFANYL}BENZYL)UREA
WGZ - [nb=5] --> .....Y}THIOPHENE-2-CARBOXAMIDE
MMG - [nb=5] --> .....PYRIDIN-3-YL)BENZOIC ACID
GNP - [nb=5] --> .....ONIC ACID-GUANYLATE ESTER
3L0 - [nb=5] --> .....[1,4]BENZOXAZIN-2(1H)-ONE
5VS - [nb=5] --> .....l)-3~{H}-quinazolin-4-one
WCX - [nb=5] --> .....L)PHENYL]ETHOXY}BENZAMIDE
919 - [nb=4] --> .....HYLPYRIDINE-2-CARBOXAMIDE
5R1 - [nb=4] --> .....YL]-2-METHOXYBENZOIC ACID
4VQ - [nb=4] --> .....-YL]-2-METHYLBENZOIC ACID
AUW - [nb=4] --> .....)phenyl]methyl]ethanamine
B49 - [nb=4] --> .....-1H-PYRROLE-3-CARBOXAMIDE
CK7 - [nb=4] --> .....L]-(3-NITRO-PHENYL)-AMINE
30E - [nb=4] --> .....ERIDINE-4-CARBOXYLIC ACID
1QJ - [nb=4] --> .....-YL]PYRIDIN-2-YL}METHANOL
430 - [nb=4] --> .....Y}THIOPHENE-2-CARBOXAMIDE
T3M - [nb=4] --> .....PYRAZIN-2-YL]BENZOIC ACID
ACP - [nb=4] --> .....ONIC ACID ADENYLATE ESTER
F8E - [nb=4] --> .....IMIDIN-4-YLAMINO)BENZOATE
AMP - [nb=4] --> ADENOSINE MONOPHOSPHATE
8V7 - [nb=4] --> .....,3-thiazole-4-carboxamide
7LV - [nb=4] --> .....,5]naphthyridin-2(1H)-one
15G - [nb=4] --> .....RROLO[3,2-C]PYRIDIN-4-ONE
NU6 - [nb=4] --> .....urin-2-yl]amino]benzamide
VGK - [nb=4] --> .....PYRIDIN-3-YL]BENZOIC ACID
IE6 - [nb=4] --> .....L}THIOPHENE-2-SULFONAMIDE
WI2 - [nb=4] --> .....ERIDINE-4-CARBOXYLIC ACID
9E4 - [nb=4] --> .....benzene-1,3-dicarboxamide
8GV - [nb=4] --> .....dihydro-1H-isoindol-1-one
IE4 - [nb=4] --> .....L}THIOPHENE-2-SULFONAMIDE
D15 - [nb=4] --> .....1H-INDAZOL-3-YL)BENZAMIDE
DMS - [nb=4] --> DIMETHYL SULFOXIDE
9E1 - [nb=4] --> .....-yl}-5-sulfamoylbenzamide
XK3 - [nb=4] --> .....OHEXANE-1-CARBOXYLIC ACID
SAP - [nb=4] --> .....OSPHATE MONOTHIOPHOSPHATE
2KC - [nb=4] --> .....4-YL}AMINO)-5-BROMOPHENOL
M77 - [nb=4] --> .....N-1-SULFONYL)ISOQUINOLINE
BX1 - [nb=4] --> .....ERIDINE-4-CARBOXYLIC ACID
OL2 - [nb=4] --> .....-YL]-2-ETHOXYBENZOIC ACID
Z3R - [nb=4] --> .....L)THIOPHENE-2-SULFONAMIDE
386 - [nb=4] --> .....,3-thiazole-4-carboxamide
LZ9 - [nb=4] --> .....1H-pyrazole-3-carboxamide
ADN - [nb=4] --> ADENOSINE
EQH - [nb=4] --> .....YCLOHEXANECARBOXYLIC ACID
1QN - [nb=4] --> .....2-YL}-N-METHYLMETHANAMINE
SS5 - [nb=4] --> .....N-3-YL]OXY}PROPAN-2-AMINE
IEO - [nb=3] --> .....)-1H-INDOLE-7-CARBOXAMIDE
4EA - [nb=3] --> .....-YL}OXY)METHYL]ETHYLAMINE
K66 - [nb=3] --> .....IMIDAZOL-1-YL]ACETIC ACID
7AA - [nb=3] --> .....inazoline-2-carboximidate
E91 - [nb=3] --> .....IDENE)METHYL]BENZOIC ACID
TAK - [nb=3] --> .....PYRAZOLO[1,5-A]PYRIMIDINE
AUG - [nb=3] --> .....)pteridine-2,4,7-triamine
4WG - [nb=3] --> .....][1,4]benzodiazepin-6-one
ATG - [nb=3] --> .....ORIC ACID-ADENYLATE ESTER
2PY - [nb=3] --> .....INDOL-3-YL]PROPAN-2-AMINE
38Z - [nb=3] --> .....PYRROLIDINE-3-CARBOXAMIDE
AQE - [nb=3] --> .....yridin-3-yl]-1,3-thiazole
BRK - [nb=3] --> .....4-METHOXYPHENYL)METHANONE
5FI - [nb=3] --> .....OMETHYL)-1H-BENZIMIDAZOLE
PVB - [nb=3] --> PURVALANOL B
3AM - [nb=3] --> .....-YL] DIHYDROGEN PHOSPHATE
6EA - [nb=3] --> .....YRIDIN-5-YLOXY)-EHYLAMINE
626 - [nb=3] --> .....-C]PYRAZOL-3-YL]BENZAMIDE
54G - [nb=3] --> .....roxy-5-methylbenzoic acid
2EA - [nb=3] --> .....-YL)OXY]METHYL}ETHYLAMINE
PFO - [nb=3] --> .....ol-5-yl}pyrimidin-2-amine
R4L - [nb=3] --> .....][1,4]BENZODIAZEPIN-6-ONE
GVD - [nb=3] --> .....,5-DIEN-1-YL]ACETONITRILE
Y27 - [nb=3] --> .....L) CYCLOHEXANECARBOXAMIDE
IE8 - [nb=3] --> .....3-B]PYRIDIN-3-YL}PYRIDINE
R78 - [nb=3] --> .....lpiperidin-4-yl)benzamide
4PY - [nb=3] --> .....N-3-YL]OXY}PROPAN-2-AMINE
BEN - [nb=3] --> BENZAMIDINE
24R - [nb=2] --> .....l]thiophene-2-carboxamide
RXZ - [nb=2] --> SPHINX31
6PV - [nb=2] --> .....enylamino)ethyl]benzamide
B5E - [nb=2] --> .....)phenyl]methyl]ethanamine
AOK - [nb=2] --> .....zimidazol-2-yl)ethanamine
36O - [nb=2] --> .....CLOHEXYL-9H-PURIN-6-AMINE
GAB - [nb=2] --> 3-AMINOBENZOIC ACID
XZN - [nb=2] --> .....]QUINOLINE-3-CARBONITRILE
4V8 - [nb=2] --> .....in-5-yl]pyridin-2(1H)-one
34U - [nb=2] --> .....IN-8-YL}PIPERIDIN-4-AMINE
GMG - [nb=2] --> .....N-3-YL)PHENYL]ACETIC ACID
4TW - [nb=2] --> .....yl)amino]phenyl}acetamide
AQ5 - [nb=2] --> .....8-diazaspiro[5.5]undecane
H52 - [nb=2] --> .....)SULFONYL]-HOMOPIPERAZINE
404 - [nb=2] --> .....DIN-5-YL]AMINO}BUTAN-1-OL
6Z5 - [nb=2] --> .....olo[2,3-d]pyrimidin-6-one
YTX - [nb=2] --> .....anyl-phenyl)ethanoic acid
SL0 - [nb=2] --> .....Y-ALPHA-L-MANNOPYRANOSIDE
AUH - [nb=2] --> .....-phenyl]methyl]ethanamine
4R0 - [nb=2] --> .....,4-triazole-1-carboxamide
BOG - [nb=2] --> SUGAR (B-OCTYLGLUCOSIDE)
K17 - [nb=2] --> .....-TETRABROMO-BENZIMIDAZOLE
4RM - [nb=2] --> .....ne)-1,3-thiazolidin-4-one
ALH - [nb=2] --> .....5H]PYRROLO[2,3-B]PYRAZINE
EMO - [nb=2] --> .....8-TRIHYDROXYANTHRAQUINONE
6Z2 - [nb=2] --> .....olo[2,3-d]pyrimidin-6-one
9YQ - [nb=2] --> .....yl)amino]phenyl]benzamide
4QV - [nb=2] --> .....-bibenzimidazol-2(3H)-one
54S - [nb=2] --> .....yphenyl)-beta-alaninamide
AUT - [nb=2] --> .....phenyl)phenyl]methanamine
A0H - [nb=2] --> .....BENZYL)METHANESULFONAMIDE
FH5 - [nb=2] --> .....PYRROLIDIN-3-YL)ACETAMIDE
4V9 - [nb=2] --> .....H-pyrazolo[4,3-c]pyridine
4KK - [nb=2] --> .....,3-thiazol-2-yl]acetamide
FS9 - [nb=2] --> .....]PIPERIDINE-4-CARBOXAMIDE
B6E - [nb=2] --> .....-2-yl]furan-2-carboxamide
7YG - [nb=2] --> .....-YLPYRAZINE-2-CARBOXAMIDE
4VB - [nb=2] --> .....in-5-yl]pyridin-2(1H)-one
D0S - [nb=2] --> .....yl]pyridine-4-carboxamide
SB4 - [nb=2] --> .....-4-PYRIMIDINYL)-IMIDAZOLE
ADE - [nb=2] --> ADENINE
NIO - [nb=2] --> NICOTINIC ACID
TC0 - [nb=2] --> .....-[1,1'-BIPHENYL]-2,4-DIOL
4SP - [nb=2] --> .....SULPHAMOYLANILINO) PURINE
Z48 - [nb=2] --> .....-1H-PYRROLE-2-CARBOXAMIDE
363 - [nb=2] --> .....5H-PYRROLO[2,3-B]PYRAZINE
65R - [nb=2] --> .....,3-thiazol-2-yl]acetamide
0WB - [nb=2] --> .....THIAZOL-4-YL}BENZONITRILE
362 - [nb=2] --> .....5H-PYRROLO[2,3-B]PYRAZINE
1CK - [nb=2] --> .....1H-PYRAZOL-3-YL)BENZAMIDE
583 - [nb=2] --> .....yrazole-3,4-diyl)diphenol
4RJ - [nb=2] --> .....yridine-3-carboxylic acid
EPE - [nb=2] --> .....AZINE ETHANESULFONIC ACID
3JB - [nb=2] --> .....rimidin-5-yl}benzonitrile
AFE - [nb=2] --> .....Y-ALPHA-L-MANNOPYRANOSIDE
4RK - [nb=2] --> .....ne]-1,3-thiazolidin-4-one
HFS - [nb=2] --> .....NESULFONYL)HOMOPIPERAZINE
3FE - [nb=2] --> .....rimidin-5-yl]benzonitrile
B4Q - [nb=2] --> .....-phenyl]methyl]ethanamine
6QB - [nb=2] --> .....imidin-4-yl]pyridin-2-one
5Z5 - [nb=2] --> .....-1H-PYRROLE-3-CARBOXAMIDE
TBS - [nb=2] --> .....7-TETRABROMOBENZOTRIAZOLE
19A - [nb=2] --> .....-1H-PYRROLE-2-CARBOXAMIDE
B45 - [nb=2] --> .....HYDROQUINAZOLIN-2(1H)-ONE
6QH - [nb=2] --> .....1,3-oxazole-4-carboxamide
1QO - [nb=2] --> .....IN-3-YL)PYRIMIDIN-2-AMINE
J60 - [nb=2] --> .....-1H-PYRROLE-3-CARBOXAMIDE
584 - [nb=2] --> .....dihydropteridin-6(5H)-one
FH3 - [nb=2] --> .....DIN-3-YL)METHYL)ACETAMIDE
3RA - [nb=2] --> .....LAMINO)-4H-IMIDAZOL-4-ONE
GR9 - [nb=2] --> .....-YLPYRAZINE-2-CARBOXAMIDE
3JA - [nb=2] --> .....-pyrrolo[2,3-d]pyrimidine
K88 - [nb=2] --> .....O-1H-INDOLE-5-SULFONAMIDE
6U1 - [nb=2] --> .....3-thiazol-2-yl]ethanamide
AHK - [nb=2] --> .....nyl)phenyl]methyl]azanium
35X - [nb=2] --> .....5H-PYRROLO[2,3-B]PYRAZINE
2NR - [nb=1] --> .....L)-1,3-BENZOXAZOL-2-AMINE
AK2 - [nb=1] --> .....YL]-1,3-THIAZOL-2-YL}UREA
BI9 - [nb=1] --> .....}AMINO)-N-METHYLBENZAMIDE
79D - [nb=1] --> .....lpiperidin-4-yl)benzamide
4KH - [nb=1] --> .....,3-thiazol-2-yl]benzamide
1SB - [nb=1] --> .....HOXYPHENYL)ACETOHYDRAZIDE
4VF - [nb=1] --> .....o[1,2-a]pyrazin-1(2H)-one
6LQ - [nb=1] --> .....YL]PYRIDINE-3-CARBOXAMIDE
2SB - [nb=1] --> .....]-2-PHENYLETHANEHYDRAZIDE
R09 - [nb=1] --> .....1H-IMIDAZOL-4-YL}PYRIDINE
0JW - [nb=1] --> .....YPHENYL)PROP-2-ENENITRILE
2NK - [nb=1] --> .....HENYL]PYRIDIN-3-YL}PHENOL
1FR - [nb=1] --> .....N-3-YL)PHENYL]PROPAN-1-OL
1N1 - [nb=1] --> .....,3-THIAZOLE-5-CARBOXAMIDE
CZ0 - [nb=1] --> .....-2H-BENZO[G]CHROMEN-2-ONE
6SH - [nb=1] --> .....yl-pyrazole-4-carboxamide
AGI - [nb=1] --> .....YPHENYL)-4H-CHROMEN-4-ONE
E57 - [nb=1] --> .....-1H-PYRROLE-2-CARBOXAMIDE
EK5 - [nb=1] --> .....-1H-PYRROLE-2-CARBOXAMIDE
NVX - [nb=1] --> .....3-YL]-3H-QUINAZOLIN-4-ONE
IRB - [nb=1] --> .....IINDOLE-5-CARBOXYLIC ACID
664 - [nb=1] --> .....RROLO[3,2-C]PYRIDIN-4-ONE
AK5 - [nb=1] --> .....METHOXY-N-PHENYLBENZAMIDE
EK9 - [nb=1] --> .....-1H-PYRROLE-2-CARBOXAMIDE
YTP - [nb=1] --> .....Y-3-METHYLPHENYL)ETHANONE
4VG - [nb=1] --> .....1,2-a][1,4]diazepin-1-one
EK4 - [nb=1] --> .....-1H-PYRROLE-2-CARBOXAMIDE
IQB - [nb=1] --> .....-ISOQUINOLINE SULFONAMIDE
A03 - [nb=1] --> .....NTAAZATETRACOSAN-24-AMIDE
P78 - [nb=1] --> .....YL}-3-NAPHTHALEN-2-YLUREA
AUE - [nb=1] --> .....)pteridine-2,4,7-triamine
9NT - [nb=1] --> .....din-1-ium-1-yl-ethanamide
34L - [nb=1] --> .....HIAZOLO[5,4-E]INDOL-7-ONE
2FR - [nb=1] --> .....N-1-YL)PHENYL]PROPANAMIDE
BUD - [nb=1] --> (2S,3S)-BUTANE-2,3-DIOL
I17 - [nb=1] --> .....MINO)-9-CYCLOPENTYLPURINE
2WE - [nb=1] --> .....,3-THIAZOLE-5-CARBOXAMIDE
33A - [nb=1] --> .....-1H-PYRROLE-2-CARBOXAMIDE
939 - [nb=1] --> .....-1H-PYRROLE-3-CARBOXAMIDE
97B - [nb=1] --> .....4-D][2]BENZAZEPIN-2-AMINE
VEK - [nb=1] --> .....1H-IMIDAZO[4,5-B]PYRIDINE
P7B - [nb=1] --> .....YL}-3-NAPHTHALEN-1-YLUREA
6FB - [nb=1] --> .....[3,4-g]quinazolin-2-amine
S69 - [nb=1] --> .....HOXYPHENYL)ACETOHYDRAZIDE
HNA - [nb=1] --> .....OXY-4-NITRO-ANTHRAQUINONE
CQ6 - [nb=1] --> .....O[3,4-D]PYRIMIDIN-2-AMINE
58C - [nb=1] --> .....lin-8-yl]oxy}cyclohexanol
2QU - [nb=1] --> .....O[3,2-D]PYRIMIDIN-4-AMINE
NR9 - [nb=1] --> .....NO]-1,3-THIAZOL-4(5H)-ONE
WUL - [nb=1] --> .....URO[3,2-D]PYRIMIDIN-4-ONE
54Z - [nb=1] --> .....ethoxy)phenyl]methanamine
AG1 - [nb=1] --> RUTHENIUM PYRIDOCARBAZOLE
E94 - [nb=1] --> .....}THIOPHENE-3-CARBONITRILE
8BQ - [nb=1] --> .....3-YL]-3H-QUINAZOLIN-4-ONE
8K5 - [nb=1] --> .....fanyl]methylidene]azanium
8ET - [nb=1] --> .....-ylpyridine-3-carboxamide
620 - [nb=1] --> .....-1H-tetrazole-1,5-diamine
5ID - [nb=1] --> .....)TETRAHYDROFURAN-3,4-DIOL
6TV - [nb=1] --> .....soquinoline-5-sulfonamide
LU2 - [nb=1] --> .....IHYDROXY-4H-CHROMEN-4-ONE
F29 - [nb=1] --> .....O[3,4-C]PYRIDAZIN-3-AMINE
1WU - [nb=1] --> .....2,1-BENZOXABOROL-1(3H)-OL
4KT - [nb=1] --> .....-4-yl]benzenecarbonitrile
609 - [nb=1] --> .....INOLINE-3-CARBOXYLIC ACID
0BX - [nb=1] --> .....N-2-YL]AMINO}BENZOIC ACID
7N9 - [nb=1] --> .....hoxy-phenyl)methylazanium
3D9 - [nb=1] --> .....-f][1,2,4]triazin-4-amine
6UI - [nb=1] --> .....1H-IMIDAZOL-5-YL]PYRIDINE
495 - [nb=1] --> .....hlorophthalazin-1(2H)-one
MRD - [nb=1] --> .....-2-METHYLPENTANE-2,4-DIOL
9EJ - [nb=1] --> .....yl]pyridine-4-carboxamide
4SB - [nb=1] --> .....]-2-PHENYLBUTANEHYDRAZIDE
AN2 - [nb=1] --> AMP PHOSPHORAMIDATE
B8L - [nb=1] --> .....5-METHOXYBENZOYL)BENZOATE
QCT - [nb=1] --> .....Y-ALPHA-L-MANNOPYRANOSIDE
AQY - [nb=1] --> .....5~-pyridine-4-carboxamide
K74 - [nb=1] --> .....L-2-YL)SULFANYL]ACETAMIDE
K44 - [nb=1] --> .....IDAZO[1,2-A]BENZIMIDAZOLE
6TY - [nb=1] --> .....1-yl]sulfonylisoquinoline
FRS - [nb=1] --> .....HIAZOL-2(3H)-YLIDENE]UREA
T75 - [nb=1] --> TAK-715
IQ6 - [nb=1] --> .....IDIN-3-YL)PYRIDIN-2-AMINE
82A - [nb=1] --> .....-1H-PYRROLE-2-CARBOXAMIDE
1J3 - [nb=1] --> .....LPIPERAZIN-1-YL)BENZAMIDE
E5J - [nb=1] --> .....yl]pyrimidine-2,4-diamine
BK1 - [nb=1] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
G6I - [nb=1] --> .....TRIFLUOROMETHYL)BENZAMIDE
5GA - [nb=1] --> .....2-yl)-1,3-thiazol-2-amine
4QX - [nb=1] --> .....,4-triazole-1-carboxamide
55E - [nb=1] --> .....PHENYLPYRIMIDIN-2(5H)-ONE
BRW - [nb=1] --> 6-BROMOINDIRUBIN-3'-OXIME
YJA - [nb=1] --> .....3-FLUOROPHENYL)ETHANAMIDE
MNY - [nb=1] --> .....4-DIHYDROXY-ANTHRAQUINONE
ATU - [nb=1] --> .....AZEPINO[4,5-B]INDOL-6-ONE
INR - [nb=1] --> .....BIINDOLE-5'-SULFONIC ACID
3SB - [nb=1] --> .....]-2-PHENYLETHANEHYDRAZIDE
BH9 - [nb=1] --> .....-A]PYRIDIN-2-YL]BENZAMIDE
8R7 - [nb=1] --> .....uinolin-4-yl)benzoic acid
4E3 - [nb=1] --> .....inoline-6-carboxylic acid
4W1 - [nb=1] --> .....enzothiophen-3-ylmethanol
DX4 - [nb=1] --> .....ihydro-6H-purine-6-thione
P7A - [nb=1] --> .....YL]-3-NAPHTHALEN-1-YLUREA
3D8 - [nb=1] --> .....-f][1,2,4]triazin-4-amine
5BS - [nb=1] --> .....)amino]benzenesulfonamide
Z8B - [nb=1] --> .....8-BROMO-5'-DEOXYADENOSINE
K32 - [nb=1] --> .....-1H,3H-BENZIMIDAZOL-2-ONE
8G2 - [nb=1] --> .....bonylphenyl)methylazanium
E28 - [nb=1] --> .....-1H-PYRROLE-2-CARBOXAMIDE
EK6 - [nb=1] --> .....ZOL-4-YL]BENZYL}GLYCINATE
IQP - [nb=1] --> .....FONYL)-2-METHYLPIPERAZINE
U55 - [nb=1] --> .....)AMINO]BENZENESULFONAMIDE
E71 - [nb=1] --> .....1H-PYRROLO[2,3-B]PYRIDINE
0BZ - [nb=1] --> .....N-2-YL}AMINO)BENZOIC ACID
BK3 - [nb=1] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
SB5 - [nb=1] --> .....O-4-PYRIMIDINYL)IMIDAZOLE
OS1 - [nb=1] --> RUTHENIUM OCTASPORINE
GK6 - [nb=1] --> .....-YLPYRIDINE-4-CARBOXAMIDE
C2V - [nb=1] --> .....]pyridazin-3-yl]benzamide
AK6 - [nb=1] --> .....PROPANOYL}AMINO)BENZAMIDE
E63 - [nb=1] --> .....-DIHYDRO-3H-INDAZOL-3-ONE
47V - [nb=1] --> .....-4-yl)furan-3-carboxamide
G11 - [nb=1] --> .....YL)PYRIDINE-3-CARBOXAMIDE
IQA - [nb=1] --> .....NAZOLIN-7-YL)-ACETIC ACID
ZZL - [nb=1] --> .....N-2-YL]AMINO}BENZOIC ACID
4T6 - [nb=1] --> .....yl)pyrimidine-2,4-diamine
AGS - [nb=1] --> .....ORIC ACID-ADENYLATE ESTER
X6D - [nb=1] --> .....3H-IMIDAZO[4,5-B]PYRIDINE
MNX - [nb=1] --> .....OXY-4-NITRO-XANTHEN-9-ONE
8R4 - [nb=1] --> .....pyridin-3-yl)benzoic acid
G12 - [nb=1] --> .....4-METHYL-2H-CHROMEN-2-ONE
0RX - [nb=1] --> .....YL]PYRIDINE-4-CARBOXAMIDE
HBD - [nb=1] --> 4-HYDROXYBENZAMIDE
X6K - [nb=1] --> .....ORPHOLIN-4-YLPYRIDO[3',2'
9JS - [nb=1] --> .....azin-3-yl}amino)benzamide
9EM - [nb=1] --> .....3-dimethylpiperazin-2-one
1J4 - [nb=1] --> .....LPIPERIDIN-4-YL)BENZAMIDE
OLO - [nb=1] --> OLOMOUCINE
274 - [nb=1] --> .....OXOINDOLINE-5-SULFONAMIDE
DXV - [nb=1] --> .....pyridin-3-yl)benzoic acid
16X - [nb=1] --> .....LPHENYL)PYRIMIDIN-2-AMINE
DB8 - [nb=1] --> .....]QUINOLINE-3-CARBONITRILE
HBM - [nb=1] --> .....MINO-PHENYL)-ETHYL]-AMIDE
2QT - [nb=1] --> .....PYRROLIDIN-1-YL)ACETAMIDE
BD2 - [nb=1] --> .....2-HYDROXYBENZOYL)BENZOATE
HDT - [nb=1] --> .....)AMINO]BENZENESULFONAMIDE
77D - [nb=1] --> .....3-C]AZEPINE-3-CARBOXAMIDE
79C - [nb=1] --> .....lpiperidin-4-yl)benzamide
E75 - [nb=1] --> .....N-2-YL]AMINO}CYCLOHEXANOL
9ZP - [nb=1] --> .....ROPYL-3-METHOXY-BENZAMIDE
6TT - [nb=1] --> .....]amino]phenyl]propanamide
106 - [nb=1] --> .....YLAZO)-BENZENESULFONAMIDE
IBI - [nb=1] --> .....AMINO}-3-METHOXYBENZAMIDE
P5K - [nb=1] --> .....YL}-3-NAPHTHALEN-1-YLUREA
EK0 - [nb=1] --> .....,7-TETRAHYDRO-1H-INDAZOLE
DRN - [nb=1] --> BISINDOLYLMALEIMIDE IX
GD9 - [nb=1] --> .....L-THIENO[3,2-D]PYRIMIDINE
3FR - [nb=1] --> .....YL)BIPHENYL-2-CARBOXAMIDE
SMY - [nb=1] --> .....1-YL}-1-OXOPROPAN-2-AMINE
6PB - [nb=1] --> .....OPHENYL)-7H-PURIN-2-AMINE
4T3 - [nb=1] --> .....o[3,2-d]pyrimidin-4-amine
2NS - [nb=1] --> .....L)-1,3-BENZOXAZOL-2-AMINE
5RC - [nb=1] --> .....l]thiophene-2-carboxamide
N58 - [nb=1] --> .....-4-ylsulfanyl)phenyl]urea
AK7 - [nb=1] --> .....IFLUOROMETHYL)PHENYL]UREA
TMU - [nb=1] --> .....TRO-1,3-THIAZOL-2-YL)UREA
K25 - [nb=1] --> .....L-1H-BENZIMIDAZOL-2-AMINE
0BY - [nb=1] --> .....N-2-YL}AMINO)BENZOIC ACID
3UL - [nb=1] --> .....yl]-4-pyridinecarboxamide
K68 - [nb=1] --> .....IMIDAZOL-1-YL)ACETIC ACID
35R - [nb=1] --> .....-YL]-1H-PYRAZOL-4-YL}UREA
553 - [nb=1] --> .....RROLO[3,2-C]PYRIDIN-4-ONE
AK1 - [nb=1] --> .....IFLUOROMETHYL)PHENYL]UREA
K37 - [nb=1] --> .....ULFANYL)-1H-BENZIMIDAZOLE
6TX - [nb=1] --> .....propyl)amino]ethylazanium
K6X - [nb=1] --> .....,7-PENTABROMO-1H-INDAZOLE
YM4 - [nb=1] --> .....1H-IMIDAZO[4,5-B]PYRIDINE
B1L - [nb=1] --> .....AN-4-YL 4-HYDROXYBENZOATE
2WF - [nb=1] --> .....L]CYCLOPROPANECARBOXAMIDE
8FZ - [nb=1] --> .....oxyfuran-2-yl)methanamine
7A7 - [nb=1] --> .....inazoline-2-carboximidate
2QV - [nb=1] --> .....PHENYL)QUINAZOLIN-4-AMINE
K8X - [nb=1] --> .....ETRAIODO-1H-BENZIMIDAZOLE
Z92 - [nb=1] --> .....-DIHYDRO-3H-PYRAZOL-3-ONE
FRZ - [nb=1] --> .....O[3,4-C]PYRIDAZIN-3-AMINE
0C0 - [nb=1] --> .....N-2-YL]AMINO}BENZOIC ACID
6T2 - [nb=1] --> .....in-8-yl)piperidin-4-amine
P79 - [nb=1] --> .....YL}-3-NAPHTHALEN-2-YLUREA
107 - [nb=1] --> .....N-2-YL-BENZENESULFONAMIDE
AK3 - [nb=1] --> .....IFLUOROMETHYL)PHENYL]UREA
38O - [nb=1] --> .....l-2-yl]quinolin-2(1H)-one
P01 - [nb=1] --> .....AMINO)-3-METHYLBUTAN-1-OL
P7C - [nb=1] --> .....-(2,3-DICHLOROPHENYL)UREA
L9L - [nb=1] --> .....,3-DIHYDRO-2H-INDOL-2-ONE
C7Y - [nb=1] --> .....yl]pyrimidine-2,4-diamine
NVV - [nb=1] --> .....3-YL]-3H-QUINAZOLIN-4-ONE
679 - [nb=1] --> .....L-3-YLAMINO]-BENZOIC ACID
937 - [nb=1] --> .....-G]INDAZOLE-3-CARBOXAMIDE
A67 - [nb=1] --> .....-D-ARGINYL-D-ARGININAMIDE
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
CRK
28
51%
0.44
PF00069
C1_S1
32 -
(8)
18
2
/
2
/
13
9
2
CRK1
27
58%
0.50
PF00069
C1_S1
25 -
(4)
20
3
/
10
/
7
15
3
GSK3
22
50%
0.52
PF00069
C1_S1
21 -
(5)
19
- /
9
/
10
15
4
LINJ_02_0260
24
31%
0.35
PF00069
C1_S1
29 -
(6)
12
1
/
5
/
4
8
5
LINJ_02_0330
26
51%
0.56
PF00069
C1_S1
37 -
(7)
20
- /
11
/
14
9
6
LINJ_02_0540
31
39%
0.29
PF00069
C1_S1
37 -
(8)
16
- /
1
/
13
5
7
LINJ_05_0390
27
39%
0.44
PF00069
C1_S1
28 -
(5)
16
- /
5
/
9
10
8
LINJ_06_1220
24
39%
0.48
PF08912
C1_S1
26 -
(3)
19
1
/
10
/
7
13
9
LINJ_10_0200
21
44%
0.67
PF00069
C1_S1
36 -
(0)
20
3
/
11
/
7
19
10
LINJ_13_1380
26
40%
0.44
PF00069
C1_S1
26 -
(7)
19
1
/
7
/
10
10
11
LINJ_14_0020
22
33%
?
PF00613
C3_S1
4 -
(1)
4
- /
2
/
2
3
12
LINJ_14_1140
20
41%
0.37
PF00069
C1_S1
16 -
(1)
13
- / - /
7
2
13
LINJ_14_1510
25
46%
0.54
PF00069
C1_S1
26 -
(4)
20
1
/
18
/
3
18
14
LINJ_16_0310
23
48%
0.44
PF12474
C1_S1
23 -
(2)
17
3
/
8
/
5
10
15
LINJ_17_0550
26
34%
0.38
PF00069
C1_S1
31 -
(6)
19
- /
9
/
6
12
16
LINJ_17_0770
21
47%
0.57
PF00659
C1_S1
25 -
(2)
20
- /
15
/
4
11
17
LINJ_22_0370
28
53%
0.42
PF00069
C1_S1
30 -
(9)
20
- /
1
/
21
4
18
LINJ_24_1500
33
36%
0.48
PF00069
C1_S1
34 -
(6)
19
- /
13
/
6
11
19
LINJ_24_1800
23
33%
?
PF00069
C1_S1
24 -
(4)
17
2
/
10
/
2
5
20
LINJ_25_1640
27
54%
0.47
PF00069
C1_S1
29 -
(1)
18
- /
13
/
5
11
21
LINJ_26_0950
19
39%
0.44
PF00069
C1_S1
24 -
(3)
11
1
/
4
/
3
2
22
LINJ_26_2600
35
35%
0.51
PF00069
C1_S1
31 -
(5)
16
- /
6
/
10
12
23
LINJ_27_2420
28
39%
0.42
PF00069
C1_S1
29 -
(7)
18
- /
2
/
13
9
24
LINJ_28_0620
19
40%
0.59
PF00069
C1_S1
22 -
(3)
12
- /
5
/
3
4
25
LINJ_28_1800
25
37%
0.55
PF00433
C1_S1
27 -
(4)
17
- /
12
/
4
9
26
LINJ_29_1420
23
35%
0.47
PF00069
C1_S1
25 -
(3)
20
- /
14
/
4
8
27
LINJ_29_2140
25
60%
0.50
PF00069
C1_S1
18 -
(1)
12
2
/
8
/
3
7
28
LINJ_30_0850
31
45%
0.60
PF00433
C1_S1
35 -
(7)
20
1
/
22
/
5
16
29
LINJ_30_2930
28
37%
0.53
PF00069
C1_S1
29 -
(1)
20
3
/
12
/
5
12
30
LINJ_32_0270
27
49%
0.60
PF00069
C1_S1
32 -
(4)
20
1
/
14
/
5
16
31
LINJ_32_3450
30
50%
0.51
PF00069
C1_S1
38 -
(3)
20
- /
12
/
11
14
32
LINJ_33_1810
24
40%
0.38
PF00069
C1_S1
17 -
(0)
15
- /
8
/
6
4
33
LINJ_34_0990
32
33%
0.55
PF08912
C1_S1
33 -
(6)
16
- /
5
/
10
5
34
LINJ_34_1910
20
30%
0.54
PF00069
C1_S1
24 -
(3)
7
- / - /
5
1
35
LINJ_34_2850
21
45%
0.45
PF00069
C1_S1
27 -
(3)
9
- /
5
/
5
4
36
LINJ_35_1020
28
60%
0.54
PF00069
C1_S1
32 -
(0)
20
- /
16
/
6
14
37
LINJ_35_1030
49
71%
0.55
PF00069
C1_S1
61 -
(0)
20
- /
27
/
18
16
38
LINJ_35_1720
56
62%
0.56
PF00069
C1_S1
71 -
(10)
20
1
/
17
/
36
20
39
LINJ_35_4010
27
54%
0.49
PF00069
C1_S1
28 -
(9)
20
3
/
17
/
4
18
40
LINJ_35_4060
29
54%
0.51
PF00069
C1_S1
32 -
(4)
20
1
/
12
/
15
22
41
LINJ_36_0970
25
32%
0.48
PF00069
C1_S1
26 -
(0)
13
- /
6
/
4
5
42
LINJ_36_2420
35
36%
0.34
PF00069
C1_S1
37 -
(9)
18
- /
4
/
14
7
43
LMAIRK
25
44%
0.56
PF00069
C1_S1
30 -
(4)
20
2
/
19
/
3
22
44
LMPK
21
44%
0.54
PF00069
C1_S1
4 -
(1)
7
- /
1
/
2
3
45
MPK11
28
100%
0.61
PF00069
C1_S1
30 -
(4)
20
- /
13
/
10
18
46
MPK12
23
44%
0.40
PF00069
C1_S1
23 -
(0)
13
2
/
9
/
2
5
47
MPK3
22
99%
0.52
PF00069
C1_S1
20 -
(0)
3
2
/ - /
2
2
48
MPK4
27
43%
0.55
PF00069
C1_S1
29 -
(0)
20
2
/
11
/
12
18
49
MRK1
21
36%
0.47
PF00069
C1_S1
20 -
(0)
20
- /
9
/
8
13
50
PKAC1
32
53%
0.62
PF00069
C1_S1
39 -
(6)
20
2
/
22
/
7
27
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