Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
LIPK_CYS (2018 - Leishmania - Leishmania kinases with cystein in binding site)
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Tab legend : Full name of ligand selected in the comparative docking column: General color information : Quality: [ Good | Correct | Uncertain ]

Query		Structural Alignment (SA)		3D Modeling	Annotation	Ligands from PDB templates			Predicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]
	Query Sequence Filter:	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	LINJ_32_0270	27	49%	0.60	PF00069	C1_S1	32 - (4)	20	1 / 14 / 5	16
2	LINJ_14_1510	25	46%	0.54	PF00069	C1_S1	26 - (4)	20	1 / 18 / 3	18
3	LINJ_30_2930	28	37%	0.53	PF00069	C1_S1	29 - (1)	20	3 / 12 / 5	12
4	MRK1	21	36%	0.47	PF00069	C1_S1	20 - (0)	20	- / 9 / 8	13
5	MPK11	28	100%	0.61	PF00069	C1_S1	30 - (4)	20	- / 13 / 10	18
6	LINJ_29_1420	23	35%	0.47	PF00069	C1_S1	25 - (3)	20	- / 14 / 4	8
7	LINJ_17_0770	21	47%	0.57	PF00659	C1_S1	25 - (2)	20	- / 15 / 4	11
8	LINJ_35_4060	29	54%	0.51	PF00069	C1_S1	32 - (4)	20	1 / 12 / 15	22
9	CRK1	27	58%	0.50	PF00069	C1_S1	25 - (4)	20	3 / 10 / 7	15
10	LINJ_35_1020	28	60%	0.54	PF00069	C1_S1	32 - (0)	20	- / 16 / 6	14
11	LINJ_32_3450	30	50%	0.51	PF00069	C1_S1	38 - (3)	20	- / 12 / 11	14
12	LINJ_35_4010	27	54%	0.49	PF00069	C1_S1	28 - (9)	20	3 / 17 / 4	18
13	LINJ_02_0330	26	51%	0.56	PF00069	C1_S1	37 - (7)	20	- / 11 / 14	9
14	LINJ_35_1030	49	71%	0.55	PF00069	C1_S1	61 - (0)	20	- / 27 / 18	16
15	MPK4	27	43%	0.55	PF00069	C1_S1	29 - (0)	20	2 / 11 / 12	18
16	LMAIRK	25	44%	0.56	PF00069	C1_S1	30 - (4)	20	2 / 19 / 3	22
17	PKAC1	32	53%	0.62	PF00069	C1_S1	39 - (6)	20	2 / 22 / 7	27
18	LINJ_22_0370	28	53%	0.42	PF00069	C1_S1	30 - (9)	20	- / 1 / 21	4
19	LINJ_10_0200	21	44%	0.67	PF00069	C1_S1	36 - (0)	20	3 / 11 / 7	19
20	LINJ_35_1720	56	62%	0.56	PF00069	C1_S1	71 - (10)	20	1 / 17 / 36	20
21	LINJ_30_0850	31	45%	0.60	PF00433	C1_S1	35 - (7)	20	1 / 22 / 5	16
22	LINJ_24_1500	33	36%	0.48	PF00069	C1_S1	34 - (6)	19	- / 13 / 6	11
23	LINJ_13_1380	26	40%	0.44	PF00069	C1_S1	26 - (7)	19	1 / 7 / 10	10
24	LINJ_06_1220	24	39%	0.48	PF08912	C1_S1	26 - (3)	19	1 / 10 / 7	13
25	GSK3	22	50%	0.52	PF00069	C1_S1	21 - (5)	19	- / 9 / 10	15
26	LINJ_17_0550	26	34%	0.38	PF00069	C1_S1	31 - (6)	19	- / 9 / 6	12
27	LINJ_27_2420	28	39%	0.42	PF00069	C1_S1	29 - (7)	18	- / 2 / 13	9
28	LINJ_36_2420	35	36%	0.34	PF00069	C1_S1	37 - (9)	18	- / 4 / 14	7
29	LINJ_25_1640	27	54%	0.47	PF00069	C1_S1	29 - (1)	18	- / 13 / 5	11
30	CRK	28	51%	0.44	PF00069	C1_S1	32 - (8)	18	2 / 2 / 13	9
31	LINJ_28_1800	25	37%	0.55	PF00433	C1_S1	27 - (4)	17	- / 12 / 4	9
32	LINJ_16_0310	23	48%	0.44	PF12474	C1_S1	23 - (2)	17	3 / 8 / 5	10
33	LINJ_24_1800	23	33%	?	PF00069	C1_S1	24 - (4)	17	2 / 10 / 2	5
34	LINJ_26_2600	35	35%	0.51	PF00069	C1_S1	31 - (5)	16	- / 6 / 10	12
35	LINJ_02_0540	31	39%	0.29	PF00069	C1_S1	37 - (8)	16	- / 1 / 13	5
36	LINJ_34_0990	32	33%	0.55	PF08912	C1_S1	33 - (6)	16	- / 5 / 10	5
37	LINJ_05_0390	27	39%	0.44	PF00069	C1_S1	28 - (5)	16	- / 5 / 9	10
38	LINJ_33_1810	24	40%	0.38	PF00069	C1_S1	17 - (0)	15	- / 8 / 6	4
39	LINJ_14_1140	20	41%	0.37	PF00069	C1_S1	16 - (1)	13	- / - / 7	2
40	MPK12	23	44%	0.40	PF00069	C1_S1	23 - (0)	13	2 / 9 / 2	5
41	LINJ_36_0970	25	32%	0.48	PF00069	C1_S1	26 - (0)	13	- / 6 / 4	5
42	LINJ_29_2140	25	60%	0.50	PF00069	C1_S1	18 - (1)	12	2 / 8 / 3	7
43	LINJ_02_0260	24	31%	0.35	PF00069	C1_S1	29 - (6)	12	1 / 5 / 4	8
44	LINJ_28_0620	19	40%	0.59	PF00069	C1_S1	22 - (3)	12	- / 5 / 3	4
45	LINJ_26_0950	19	39%	0.44	PF00069	C1_S1	24 - (3)	11	1 / 4 / 3	2
46	LINJ_34_2850	21	45%	0.45	PF00069	C1_S1	27 - (3)	9	- / 5 / 5	4
47	LMPK	21	44%	0.54	PF00069	C1_S1	4 - (1)	7	- / 1 / 2	3
48	LINJ_34_1910	20	30%	0.54	PF00069	C1_S1	24 - (3)	7	- / - / 5	1
49	LINJ_14_0020	22	33%	?	PF00613	C3_S1	4 - (1)	4	- / 2 / 2	3
50	MPK3	22	99%	0.52	PF00069	C1_S1	20 - (0)	3	2 / - / 2	2

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