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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02886041

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZY1N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(3-methoxybenzyl)amino]propyl}-
7-ethyl-1-methyl-3,4-dihydro-1H-
[1,2,5]thiadiazepino[3,4,5-hi]indole-
9-carboxamide 2,2-dioxide
A2WF10.72
CAU(2S)-1-(9H-Carbazol-4-yloxy)-3-
(isopropylamino)propan-2-ol
A2RH10.71
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID
A1CAQ0.75
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID
A1CIZ0.75
SROSEROTONINA,B3BRN0.71
SROSEROTONINA2QEH0.71
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE
A2IOG0.71
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN
A,B2OW00.75
DRD2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-
NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-
YL)OXY]-2-METHYLPROPANOIC ACID
A2HWR0.71
858C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCINA,D1QPF0.7
ZYEN-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHOXYBENZYL)AMINO]PROPYL}-
1-ETHYL-4-(2-OXO-2,3-DIHYDRO-1H-
PYRROL-1-YL)-1H-INDOLE-6-CARBOXAMIDE
A2WEZ0.72
4HT4-HYDROXYTRYPTOPHANH,L1RU90.73
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.73
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.73
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.73
3LG(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETIC ACID
B2G260.7
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.71
I48N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-
ETHOXY]-PHENYL}-BENZENESULFONAMIDE
H1UVT0.71
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.75
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.71
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.71
2CABENZOFURAN-2-CARBOXYLIC ACID {(S)-
3-METHYL-1-[3-OXO-1-(PYRIDIN-2-
YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE
A,B1NLJ0.7
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.75
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID
A2F4B0.72
3593-[[3-[(2R)-3-[[(2S)-5-amino-1-
[(4-carbamimidoylphenyl)methylamino]-
1,5-dioxo-pentan-2-yl]amino]-2-
(ethylsulfonylamino)-3-oxo-propyl]-
1H-indol-5-yl]oxymethyl]benzoic acid
H,L2ZZU0.77
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.7
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.7
5PIN-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-
N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-
L-GLUTAMAMIDE
H,L1WV70.79
NSI3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-
1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-
INDOLE-2-CARBOXAMIDE
A2HFP0.77
V5X(2R)-N~8~-HYDROXY-2-{[(5-METHOXY-
2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-
N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE
A,B2V5X0.72
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.74
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.74
3076,7-DIMETHYL-3-[(METHYL{2-[METHYL({1-
[3-(TRIFLUOROMETHYL)PHENYL]-1H-
INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]-
4H-CHROMEN-4-ONE
A,C2AZ50.7
3EA2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-
6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID
A,B2ATH0.7
900N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8Q0.7
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.72
792N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-
5-methyl-D-tryptophan
A,B,C,D3G420.86
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.74
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T
2VUM0.74
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.74
CR32-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2H0.72
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
B1UTS0.75
887N-cyclopropyl-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8R0.73
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.7
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.7
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.7
AAXN-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-
3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-
OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE
A1Y6B0.7
ASEN-ACETYL SEROTONINA1NAS0.72
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE
A1O2T0.72
VAW(2S,3R,4S)-methyl 4-(2-(2-(1H-indol-
3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-
2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-
2H-pyran-5-carboxylate
A,B2VAQ0.71
AI32,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-
C]ISOQUINOLIN-6-IUM
A,C,D1TL80.73
A535-{5-[(S)-2-AMINO-3-(1H-INDOL-3-
YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-
(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-
1,3-DIHYDRO-INDOL-2-ONE
A2GHG0.73
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.7
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID
A1KNU0.73
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FLS0.74
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FM10.74
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.72
43A(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-
3-(1H-PYRROL-2-YLMETHYLENE)-1,3-
DIHYDRO-2H-INDOL-2-ONE
A2AYP0.79
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.81
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX90.73
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX80.73
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.75
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.71
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.71
DRY[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-
1H-INDOL-5-YL)OXY]ACETIC ACID
A2HWQ0.73
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.72
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.78
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.78
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.78
FLDBIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-
1,6-DIAMINE
A,B154D0.71
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
B2TYS0.71
8IN[3-(1-BENZYL-3-CARBAMOYLMETHYL-
2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-
]-PHOSPHONIC ACID
A1DB40.73
587C32-O-(1-METHYL-INDOL-5-YL) 18-
HYDROXY-ASCOMYCIN
A,C1QPL0.7
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B,C,D2W0D0.7
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A3AYK0.7
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B1JIZ0.7
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A4AYK0.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7
0AF7-hydroxy-L-tryptophanL1MAE0.72
0AF7-hydroxy-L-tryptophanL1MAF0.72
CIA6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-
2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-
B]INDOLE-1,4-DIONE
A,B1UDU0.74
CIA6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-
2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-
B]INDOLE-1,4-DIONE
A1XOZ0.74
SBBN-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-
BENZAMIDE
A1IF90.73
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.71
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.71
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid
A3ET30.86
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid
A,B3ET10.86
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid
A,B3ET20.86