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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03449550

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3IL3-(INDOL-3-YL) LACTATEA2A7P0.71
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.72
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.8
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid		A3HDM0.7
BMSA,B1DKF0.75
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.74
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.77
NIONICOTINIC ACIDA1JHQ0.74
NIONICOTINIC ACIDA1L5L0.74
NIONICOTINIC ACIDA2F7F0.74
NIONICOTINIC ACIDA1L5K0.74
NIONICOTINIC ACIDA1JHY0.74
NIONICOTINIC ACIDA,B1FSL0.74
NIONICOTINIC ACIDA1L5M0.74
NIONICOTINIC ACIDA1LH60.74
NIONICOTINIC ACIDA1JHO0.74
NIONICOTINIC ACIDA3CI80.74
NIONICOTINIC ACIDA,B,C,D1ICU0.74
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.74
NIONICOTINIC ACIDA1JHA0.74
NIONICOTINIC ACIDA1JHV0.74
NIONICOTINIC ACIDA1L4N0.74
NIONICOTINIC ACIDA2LH60.74
NIONICOTINIC ACIDA1D0V0.74
NIONICOTINIC ACIDA,B,C,D1ICV0.74
NIONICOTINIC ACIDA,B1ICR0.74
NIONICOTINIC ACIDA1JHR0.74
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.84
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.84
DTRD-TRYPTOPHANA,B,C,D2R3C0.72
DTRD-TRYPTOPHANA1XY80.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.72
DTRD-TRYPTOPHANA2V7K0.72
DTRD-TRYPTOPHANA,D1CZQ0.72
DTRD-TRYPTOPHANA1DFY0.72
DTRD-TRYPTOPHANA1XY50.72
DTRD-TRYPTOPHANA1NXN0.72
DTRD-TRYPTOPHANA1TKF0.72
DTRD-TRYPTOPHANA1YL90.72
DTRD-TRYPTOPHANA1XXZ0.72
DTRD-TRYPTOPHANA1XY40.72
DTRD-TRYPTOPHANA,D2Q3I0.72
DTRD-TRYPTOPHANA1QFB0.72
DTRD-TRYPTOPHANA1DFZ0.72
DTRD-TRYPTOPHANA1XY90.72
DTRD-TRYPTOPHANA1XY60.72
DTRD-TRYPTOPHANA2SOC0.72
DTRD-TRYPTOPHANA2JUE0.72
DTRD-TRYPTOPHANA1SOC0.72
DTRD-TRYPTOPHANA1YL80.72
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.72
DTRD-TRYPTOPHANA,B2Q330.72
DTRD-TRYPTOPHANA1DG00.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.72
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.73
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.73
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.73
8094-(2-chlorophenyl)-8-(2-hydroxyethyl)-
6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-
dione		A3CR00.72
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.72
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE		A,B1I300.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.71
LCF[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-
7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-
5-YL]ACETIC ACID		A1ZYX0.76
PYU2-(1H-pyrrol-1-ylcarbonyl)benzene-
1,3,5-triol		A,B3EKO0.71
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A,B1E510.71
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A1OHL0.71
RSS5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-
HEXANOIC ACID		A,B1MMP0.73
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.73
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.77
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.73
4FW4-FLUOROTRYPTOPHANEA1RM90.74
4HT4-HYDROXYTRYPTOPHANH,L1RU90.72
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.72
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.72
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.75
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID		A2Q8S0.75
FTRFLUOROTRYPTOPHANEA2JT80.74
FTRFLUOROTRYPTOPHANEA,B1NF00.74
FTRFLUOROTRYPTOPHANEA2JTZ0.74
FTRFLUOROTRYPTOPHANEA,B1I450.74
FTRFLUOROTRYPTOPHANEA,B2ZNX0.74
FTRFLUOROTRYPTOPHANEA,B1NEY0.74
FTRFLUOROTRYPTOPHANEA,B5FWG0.74
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWK0.77
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.75
QNDQUINALDIC ACIDA,B1IDA0.71
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID		A2F4B0.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.76
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2I0T0.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,C,D,K,L,
M,N		2J570.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK40.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUR0.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2AGW0.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,H,L,M2J560.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUV0.7
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK60.7
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.73
9HI(3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-
4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-
1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid		A,C,D3CDB0.7
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.72
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.76
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.72
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.72
7HI(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-
2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-
1(4H)-yl]-3,5-dihydroxyheptanoic acid		A,B,C,D3CD50.76
E093-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-
2-[1H-INDOLE-4,7-DIONE]-PROPANOL		A,B,C,D1GG50.73
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.74
IOPINDOLYLPROPIONIC ACIDA2OLI0.74
IOPINDOLYLPROPIONIC ACIDA,B2AY50.74
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.71
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.71
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.71
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.74
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.73
DRY[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-
1H-INDOL-5-YL)OXY]ACETIC ACID		A2HWQ0.7
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.75
4PPC,L1XKA0.72
4PPA,B,C,D1XKB0.72
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.8
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.7
HR1(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-
ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-
3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-
3,5-DIHYDROXYHEPTANOIC ACID		A,B,C,D2Q6C0.71
NTMQUINOLINIC ACIDA3C2O0.74
NTMQUINOLINIC ACIDA,B1QAP0.74
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.74
NTMQUINOLINIC ACIDA,B,C2B7N0.74
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.71
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.75
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.75
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.78
HR2(3R,5R)-7-[3-(4-FLUOROPHENYL)-1-
ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-
HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-
YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,B,C,D2Q6B0.73
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.74
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.74
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.74
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.77
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.7
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.7
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.7
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.7
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.77
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.72
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.73
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.72
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.71
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID		A,B1UTZ0.72
238A2PRH0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.76
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.76
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.76
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.76
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.71
3HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
[(2-hydroxyphenyl)carbamoyl]-5-
(1-methylethyl)-3-phenyl-1H-pyrrol-
1-yl]-3,5-dihydroxyheptanoic acid		B,C,D3CCT0.75
BRFA1UUO0.79
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,C,D2Q1L0.73
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,C,D3CD70.73
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.74
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.7
4IN4-AMINO-L-TRYPTOPHANA1OXF0.7
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.84
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.82
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE		A,B,C,D1H690.77
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.74
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.74
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.74
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH40.71
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH90.71
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid		A3ET30.7
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid		A,B3ET10.7
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid		A,B3ET20.7
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.75
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.75
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
DFN3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-
PHENYL]-4-(5-FLUORO-1-METHYL-1H-
INDOL-3-YL)-PYRROLE-2,5-DIONE		A,B1R0E0.72
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.73
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.73