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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02659481

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HM4TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-
3-YL}CARBAMATE		A2NQ60.71
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE		A1OIQ0.73
9DA9-DEAZAADENINEA1L1R0.73
9DA9-DEAZAADENINEA1L1Q0.73
PYCPYRROLE-2-CARBOXYLATEA1W620.7
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.7
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.7
PYCPYRROLE-2-CARBOXYLATEA,B1W610.7
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.7
LZ74-(acetylamino)-N-(4-fluorophenyl)-
1H-pyrazole-3-carboxamide		A2VTN0.71
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A2JBO0.72
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A,B,C,D,E,F,
G,H,I,K,L		2JBP0.72
2874-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-
5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide		A2RG60.72
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.71
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.71
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.71
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.71
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.71
HM53-[(2,2-DIMETHYLPROPANOYL)AMINO]-
N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE		A2NQ70.74
HP1IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDEA,B407D0.75
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE		A2OJ90.71
553(7S)-2-(2-aminopyrimidin-4-yl)-
7-(2-fluoroethyl)-1,5,6,7-tetrahydro-
4H-pyrrolo[3,2-c]pyridin-4-one		A,B3DU80.77
BC32-amino-7-(pyridin-3-ylmethyl)-
3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-
4-one		A,B,C3DJF0.8
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE		A2OJG0.71
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine		A2W170.7
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.74
3BA7-amino-2-tert-butyl-4-{[2-(1H-
imidazol-4-yl)ethyl]amino}pyrido[2,3-
d]pyrimidine-6-carboxamide		A3BAA0.73
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE		A2PE20.73
DBQDEBROMOHYMENIALDISINEA2C3J0.76
DBQDEBROMOHYMENIALDISINEA,B1U4D0.76
DBQDEBROMOHYMENIALDISINEA2CN80.76
DBQDEBROMOHYMENIALDISINEA1Z570.76
IIPIMIDAZOLE-PYRROLE POLYAMIDEA,B365D0.76
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.72
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide		A,B3G0F0.71
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide		A3G0E0.71
DMYDISTAMYCIN AA217D0.76
DMYDISTAMYCIN AA1K2Z0.76
DMYDISTAMYCIN AA,B,E,F2JT70.76
DMYDISTAMYCIN AA,B267D0.76
DMYDISTAMYCIN AA306D0.76
DMYDISTAMYCIN AA304D0.76
DMYDISTAMYCIN AA305D0.76
DMYDISTAMYCIN AA1JUX0.76
DMYDISTAMYCIN AA2DND0.76
DMYDISTAMYCIN AA,B,C,D378D0.76
DMYDISTAMYCIN AB1JTL0.76
DMYDISTAMYCIN AA159D0.76
DMYDISTAMYCIN AA216D0.76
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.78
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.78
P11IMIDAZOLE-PYRROLE-BETA ALANINE-
IMIDAZOLE-BETA ALANINE-IMIDAZOLE-
PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE		A1LEJ0.74
LTNL-TRYPTOPHANAMIDEA1MAU0.7
LTNL-TRYPTOPHANAMIDEA,B2QUI0.7
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine		A2RIP0.74
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B408D0.75
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B1CVY0.75
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.72
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.73
SPP(1-(5-METHANSULPHONAMIDO-1H-INDOL-
2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE		A1KLM0.73
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide		A3EXB0.73
199N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-
1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE		A1ZYS0.74
9DG9-DEAZAGUANINEA,B,C,D,E1Q2S0.86
9DG9-DEAZAGUANINEA1IL40.86
9DG9-DEAZAGUANINEA,C1FSG0.86
9DG9-DEAZAGUANINEA,B,C,D1Q2R0.86
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE		A1M510.72
JNO2-{4-[(4-imidazo[1,2-a]pyridin-
3-ylpyrimidin-2-yl)amino]piperidin-
1-yl}-N-methylacetamide		A3CGO0.72
279N-ethyl-4-{[5-(methoxycarbamoyl)-
2-methylphenyl]amino}-5-methylpyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide		A2RG50.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1X0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWE0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LW00.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HND0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1FKP0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1U0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWF0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HNY0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1VRT0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWC0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLB0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A3HVT0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLF0.72
9HX9-DEAZAHYPOXANTHINEA,B,C1I800.85
CYEB1PQQ0.71
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA		A2PE10.73