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]
50	LINJ_34_0990	32	33%	0.55	PF08912	C1_S1	33 - (6)	16	- / 5 / 10	5
51	LINJ_06_1220	24	39%	0.48	PF08912	C1_S1	26 - (3)	19	1 / 10 / 7	13
52	LINJ_16_0310	23	48%	0.44	PF12474	C1_S1	23 - (2)	17	3 / 8 / 5	10

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