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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00480783

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BFU1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-
FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-
CYCLOPROPYL]-UREA		A1EET0.71
APT2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-
METHYL]-4-HYDROXY-PTERIDIN-1-IUM		A,B1QCJ0.73
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.71
OPN{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-
DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-
ACETYL]-AMINO}-ACETIC ACID		A,B,C,D1HZS0.75
985(2E)-3-{3-[6-(4-methyl-1,4-diazepan-
1-yl)pyrazin-2-yl]phenyl}prop-2-
enoic acid		A3F2A0.73
3BA7-amino-2-tert-butyl-4-{[2-(1H-
imidazol-4-yl)ethyl]amino}pyrido[2,3-
d]pyrimidine-6-carboxamide		A3BAA0.72
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID		B2I030.82
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.71
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.71
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1RTH0.72
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1RT30.72
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1LW20.72
PT1PTEROIC ACIDA,B1TX00.74
PT1PTEROIC ACIDA1BR60.74
PT1PTEROIC ACIDA,B1HWP0.74
NIXNALIDIXIC ACIDA,B2BQ20.76
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.72
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.75
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.75
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7S0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7M0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B,C,D3E7G0.75
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.72
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid		A3HDM0.73
P5C2-{[(1R,2S)-2-aminocyclohexyl]amino}-
4-[(3-methylphenyl)amino]pyrimidine-
5-carboxamide		A3FQE0.72
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.7
NCANICOTINAMIDEA,B2E5D0.7
NCANICOTINAMIDEA,B,C,D2Z770.7
NCANICOTINAMIDEA,B1DMA0.7
NCANICOTINAMIDEA,B1ISM0.7
NCANICOTINAMIDEA,B1YC50.7
NCANICOTINAMIDEA2ZB70.7
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.7
NCANICOTINAMIDEA,B2QQG0.7
NCANICOTINAMIDEA2OTV0.7
NCANICOTINAMIDEA2QHF0.7
NCANICOTINAMIDEA,B,C,D2C8A0.7
NCANICOTINAMIDEA,B2HJH0.7
NCANICOTINAMIDEA2A150.7
NCANICOTINAMIDEA2R6V0.7
NCANICOTINAMIDEA,B1ISI0.7
NCANICOTINAMIDEA,D,E2R9J0.7
NCANICOTINAMIDEA2H4J0.7
NCANICOTINAMIDEA,B2OD90.7
NCANICOTINAMIDEA,B,C,D,E1YC20.7
NCANICOTINAMIDEA,B3DZG0.7
NCANICOTINAMIDEA1OJU0.7
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.74
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.74
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D,E,F1KQO0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B2H290.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1NUQ0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA1WXG0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D,E,F1KAQ0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1EE10.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D3E270.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA1XQD0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B2H2A0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1IFX0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1XNG0.72
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE		A,B2NO30.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1X0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWE0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LW00.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HND0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1FKP0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1U0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWF0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HNY0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1VRT0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWC0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLB0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A3HVT0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLF0.79
24XH,L2EC90.78
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.73
7CS(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL 1H-PYRROLO[2,3-B]PYRIDINE-
3-CARBOXYLATE		A2QHM0.74
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.89
3BD7-amino-2-tert-butyl-4-(4-pyrimidin-
2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-
6-carboxamide		A3BAB0.74
NTMQUINOLINIC ACIDA3C2O0.75
NTMQUINOLINIC ACIDA,B1QAP0.75
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.75
NTMQUINOLINIC ACIDA,B,C2B7N0.75
PAQ2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINEA,B,C,D2C110.72
PAQ2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINEA,B1SPU0.72
NIONICOTINIC ACIDA1JHQ0.82
NIONICOTINIC ACIDA1L5L0.82
NIONICOTINIC ACIDA2F7F0.82
NIONICOTINIC ACIDA1L5K0.82
NIONICOTINIC ACIDA1JHY0.82
NIONICOTINIC ACIDA,B1FSL0.82
NIONICOTINIC ACIDA1L5M0.82
NIONICOTINIC ACIDA1LH60.82
NIONICOTINIC ACIDA1JHO0.82
NIONICOTINIC ACIDA3CI80.82
NIONICOTINIC ACIDA,B,C,D1ICU0.82
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.82
NIONICOTINIC ACIDA1JHA0.82
NIONICOTINIC ACIDA1JHV0.82
NIONICOTINIC ACIDA1L4N0.82
NIONICOTINIC ACIDA2LH60.82
NIONICOTINIC ACIDA1D0V0.82
NIONICOTINIC ACIDA,B,C,D1ICV0.82
NIONICOTINIC ACIDA,B1ICR0.82
NIONICOTINIC ACIDA1JHR0.82
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE		A,B1FPU0.71
FOLFOLIC ACIDA1PJ60.72
FOLFOLIC ACIDA,B1RD70.72
FOLFOLIC ACIDA,B1DHF0.72
FOLFOLIC ACIDA,B,C,D,E1QZF0.72
FOLFOLIC ACIDA4CD20.72
FOLFOLIC ACIDA1RX70.72
FOLFOLIC ACIDA1RX20.72
FOLFOLIC ACIDA1RX80.72
FOLFOLIC ACIDA1RA20.72
FOLFOLIC ACIDA,B1RE70.72
FOLFOLIC ACIDA7DFR0.72
FOLFOLIC ACIDA1VIF0.72
FOLFOLIC ACIDA,B1RB20.72
FOLFOLIC ACIDA1CD20.72
FOLFOLIC ACIDA2CD20.72
FOLFOLIC ACIDA,B1DYI0.72
FOLFOLIC ACIDA1DRF0.72
FOLFOLIC ACIDA,B,C,D3BMC0.72
FOLFOLIC ACIDA,B2D0K0.72
FOLFOLIC ACIDA1RA80.72
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.71
CCK[1-(6-{6-[(1-methylethyl)amino]-
1H-indazol-1-yl}pyrazin-2-yl)-1H-
pyrrol-3-yl]acetic acid		X3E3B0.7
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.76
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.71
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.71
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.71
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.71
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.71
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.71
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.71
TRNNZ2-TRYPTOPHANA,B,C1AM70.72
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A,B2PSJ0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A2F8P0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A1S360.71
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.72
SX24-[(5-bromopyridin-2-yl)amino]-
4-oxobutanoic acid		A,B3CJ00.7
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.7
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.73
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.74
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E6L0.7
3284-({4-[(4-methoxypyridin-2-yl)amino]piperidin-
1-yl}carbonyl)benzonitrile		A,B3EAI0.7
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.7
NXXA,B,C,D3DLA0.72
NXXA,B,C2QTR0.72
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.74
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.73
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.76
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.76
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide		A,B2P2I0.73
MTXMETHOTREXATEA,B1DRB0.7
MTXMETHOTREXATEA,B,C,D2C7V0.7
MTXMETHOTREXATEA1U700.7
MTXMETHOTREXATEA,B,C,D1MXF0.7
MTXMETHOTREXATEA2QK80.7
MTXMETHOTREXATEA,B1RB30.7
MTXMETHOTREXATEA,B1DHJ0.7
MTXMETHOTREXATEA3DAU0.7
MTXMETHOTREXATEA1U720.7
MTXMETHOTREXATEA,B2DRC0.7
MTXMETHOTREXATEA,B1D1G0.7
MTXMETHOTREXATEA,B1DDR0.7
MTXMETHOTREXATEA,B1E7W0.7
MTXMETHOTREXATEA1RX30.7
MTXMETHOTREXATEA3DFR0.7
MTXMETHOTREXATEA,B,C,D1P330.7
MTXMETHOTREXATEA3DAT0.7
MTXMETHOTREXATEA,B1DHI0.7
MTXMETHOTREXATEA,B1TDR0.7
MTXMETHOTREXATEA,B1DRA0.7
MTXMETHOTREXATEA3EIG0.7
MTXMETHOTREXATEA3CD20.7
MTXMETHOTREXATEA1AO80.7
MTXMETHOTREXATEA1DF70.7
MTXMETHOTREXATEA1DLS0.7
MTXMETHOTREXATEA1RG70.7
MTXMETHOTREXATEA1RH30.7
MTXMETHOTREXATEA,B4DFR0.7
MTXMETHOTREXATEA1RA30.7
MTXMETHOTREXATEA,B1DDS0.7
MTXMETHOTREXATEA1DRE0.7
MTXMETHOTREXATEA,B1AXW0.7
MTXMETHOTREXATEA3CL90.7
MTXMETHOTREXATEA,B3DRC0.7
MTXMETHOTREXATEA,B,C,D,E2OIP0.7
DZF5-DEAZAFOLIC ACIDA,B2DHF0.74
DZF5-DEAZAFOLIC ACIDA,B1DYH0.74
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.74