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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02340792

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24XH,L2EC90.71
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.74
NA3(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-
4-OXOBUTANOIC ACID		A1RE10.75
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.7
20A1-ethyl-N-(phenylmethyl)-4-(tetrahydro-
2H-pyran-4-ylamino)-1H-pyrazolo[3,4-
b]pyridine-5-carboxamide		A3D3P0.72
LYB2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-
4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-
5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-
BUTYRYLAMINO)-4-CARBOXY-BUTYRYLAMINO}-
PENTANEDIOIC ACID		A,B1JTU0.74
NCANICOTINAMIDEA,B2E5D0.73
NCANICOTINAMIDEA,B,C,D2Z770.73
NCANICOTINAMIDEA,B1DMA0.73
NCANICOTINAMIDEA,B1ISM0.73
NCANICOTINAMIDEA,B1YC50.73
NCANICOTINAMIDEA2ZB70.73
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.73
NCANICOTINAMIDEA,B2QQG0.73
NCANICOTINAMIDEA2OTV0.73
NCANICOTINAMIDEA2QHF0.73
NCANICOTINAMIDEA,B,C,D2C8A0.73
NCANICOTINAMIDEA,B2HJH0.73
NCANICOTINAMIDEA2A150.73
NCANICOTINAMIDEA2R6V0.73
NCANICOTINAMIDEA,B1ISI0.73
NCANICOTINAMIDEA,D,E2R9J0.73
NCANICOTINAMIDEA2H4J0.73
NCANICOTINAMIDEA,B2OD90.73
NCANICOTINAMIDEA,B,C,D,E1YC20.73
NCANICOTINAMIDEA,B3DZG0.73
NCANICOTINAMIDEA1OJU0.73
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.73
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE		A,B1FPU0.7
OPN{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-
DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-
ACETYL]-AMINO}-ACETIC ACID		A,B,C,D1HZS0.77
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E6L0.71
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.73
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.7
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1NZQ0.7
DZF5-DEAZAFOLIC ACIDA,B2DHF0.82
DZF5-DEAZAFOLIC ACIDA,B1DYH0.82
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.82
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.73
MTXMETHOTREXATEA,B1DRB0.74
MTXMETHOTREXATEA,B,C,D2C7V0.74
MTXMETHOTREXATEA1U700.74
MTXMETHOTREXATEA,B,C,D1MXF0.74
MTXMETHOTREXATEA2QK80.74
MTXMETHOTREXATEA,B1RB30.74
MTXMETHOTREXATEA,B1DHJ0.74
MTXMETHOTREXATEA3DAU0.74
MTXMETHOTREXATEA1U720.74
MTXMETHOTREXATEA,B2DRC0.74
MTXMETHOTREXATEA,B1D1G0.74
MTXMETHOTREXATEA,B1DDR0.74
MTXMETHOTREXATEA,B1E7W0.74
MTXMETHOTREXATEA1RX30.74
MTXMETHOTREXATEA3DFR0.74
MTXMETHOTREXATEA,B,C,D1P330.74
MTXMETHOTREXATEA3DAT0.74
MTXMETHOTREXATEA,B1DHI0.74
MTXMETHOTREXATEA,B1TDR0.74
MTXMETHOTREXATEA,B1DRA0.74
MTXMETHOTREXATEA3EIG0.74
MTXMETHOTREXATEA3CD20.74
MTXMETHOTREXATEA1AO80.74
MTXMETHOTREXATEA1DF70.74
MTXMETHOTREXATEA1DLS0.74
MTXMETHOTREXATEA1RG70.74
MTXMETHOTREXATEA1RH30.74
MTXMETHOTREXATEA,B4DFR0.74
MTXMETHOTREXATEA1RA30.74
MTXMETHOTREXATEA,B1DDS0.74
MTXMETHOTREXATEA1DRE0.74
MTXMETHOTREXATEA,B1AXW0.74
MTXMETHOTREXATEA3CL90.74
MTXMETHOTREXATEA,B3DRC0.74
MTXMETHOTREXATEA,B,C,D,E2OIP0.74
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.7
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID		H2ANM0.71
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.72
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.74
FOLFOLIC ACIDA1PJ60.78
FOLFOLIC ACIDA,B1RD70.78
FOLFOLIC ACIDA,B1DHF0.78
FOLFOLIC ACIDA,B,C,D,E1QZF0.78
FOLFOLIC ACIDA4CD20.78
FOLFOLIC ACIDA1RX70.78
FOLFOLIC ACIDA1RX20.78
FOLFOLIC ACIDA1RX80.78
FOLFOLIC ACIDA1RA20.78
FOLFOLIC ACIDA,B1RE70.78
FOLFOLIC ACIDA7DFR0.78
FOLFOLIC ACIDA1VIF0.78
FOLFOLIC ACIDA,B1RB20.78
FOLFOLIC ACIDA1CD20.78
FOLFOLIC ACIDA2CD20.78
FOLFOLIC ACIDA,B1DYI0.78
FOLFOLIC ACIDA1DRF0.78
FOLFOLIC ACIDA,B,C,D3BMC0.78
FOLFOLIC ACIDA,B2D0K0.78
FOLFOLIC ACIDA1RA80.78
GPBN-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID		A1E260.73
PAQ2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINEA,B,C,D2C110.72
PAQ2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINEA,B1SPU0.72
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID		B2I030.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1X0.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWE0.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LW00.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HND0.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1FKP0.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1U0.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWF0.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HNY0.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1VRT0.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWC0.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLB0.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A3HVT0.74
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLF0.74
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide		A,B2P2I0.7
LYD2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID		A,B1JUT0.73
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.71
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.72
NNRNicotinamide ribosideA2QT00.74
NNRNicotinamide ribosideA2QT10.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.72
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID		A,B,C,D1JUJ0.76
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID		A,B,C,D1JU60.76
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE		H,P2ANK0.71
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7S0.76
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7M0.76
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B,C,D3E7G0.76
475N-[oxo(pyridin-2-ylamino)acetyl]-
beta-D-glucopyranosylamine		A3CUV0.7
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.72
GK6N-{4'-[(cyclopropylmethyl)carbamoyl]-
6-methylbiphenyl-3-yl}-2-morpholin-
4-ylpyridine-4-carboxamide		A3D830.73
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUC0.7
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.71
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.71
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.74
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.71
P5C2-{[(1R,2S)-2-aminocyclohexyl]amino}-
4-[(3-methylphenyl)amino]pyrimidine-
5-carboxamide		A3FQE0.71