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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02010712

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.7
A966-chloro-N-pyrimidin-5-yl-3-{[3-
(trifluoromethyl)phenyl]amino}-
1,2-benzisoxazole-7-carboxamide
A,B3DTW0.72
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5Q0.71
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1EXV0.71
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5S0.71
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L7X0.71
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5R0.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.73
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A,B2VD50.7
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A1UVR0.7
C03(2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-
1,2-BENZISOXAZOL-3-YL)-2-METHYL-
6-(TRIFLUOROMETHOXY)-1H-INDOL-1-
YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2P4Y0.72
3964-(2-chlorophenyl)-9-hydroxy-6-
methyl-1,3-dioxo-N-(2-pyrrolidin-
1-ylethyl)pyrrolo[3,4-g]carbazole-
8-carboxamide
A3BI60.78
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE
A1WVX0.74
CMB1-(3-carbamimidoylbenzyl)-N-(3,5-
dichlorobenzyl)-4-methyl-1H-indole-
2-carboxamide
B1LPZ0.73
IIE1-{2-[(4-CHLOROPHENYL)AMINO]-2-
OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE
B2BQW0.75
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.72
19B4-methyl-N-(3-morpholin-4-ylphenyl)-
3-(3-piperidin-4-yl-1,2-benzisoxazol-
6-yl)benzamide
A3E930.71
ME43-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-
1H-INDOLE-6-CARBOXAMIDE
A2P940.71
5Z55-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-
2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
A2JAV0.74
VX14-[3-(4-chlorophenyl)-2,1-benzisoxazol-
5-yl]pyrimidin-2-amine
A3BGP0.73
J605-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-[2-
(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-
1H-PYRROLE-3-CARBOXAMIDE
A,B2JAM0.74
105N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-
4-CARBOXYLIC ACID AMIDE] BORONIC ACID
A1JWZ0.78
105N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-
4-CARBOXYLIC ACID AMIDE] BORONIC ACID
A,B1FSY0.78
105N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-
4-CARBOXYLIC ACID AMIDE] BORONIC ACID
A1NYY0.78
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid
A3FR40.7
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.72
IIB1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-
3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE
B2BQ60.78
CXNCLOXACILLINA,B1FCM0.72
8094-(2-chlorophenyl)-8-(2-hydroxyethyl)-
6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-
dione
A3CR00.74
6436-(4-{[3-(3,5-dichloropyridin-4-
yl)-5-(1-methylethyl)isoxazol-4-
yl]methoxy}-2-methylphenyl)-1-methyl-
1H-indole-3-carboxylic acid
A3FXV0.74
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
A,B2I0E0.71
MB9(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-
tetrahydrospiro[beta-carboline-
3,4'-piperidine]-4-carbonitrile
A3CY20.71
6C36-CHLORO-3-(3-METHYLISOXAZOL-5-
YL)-4-PHENYLQUINOLIN-2(1H)-ONE
A2I0V0.75
3309-HYDROXY-6-(3-HYDROXYPROPYL)-4-
(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE
A2IO60.7
IMNINDOMETHACINA2BXM0.71
IMNINDOMETHACINA3FO70.71
IMNINDOMETHACINA,B,C,D1Z9H0.71
IMNINDOMETHACINA2BXQ0.71
IMNINDOMETHACINA,B,C,D4COX0.71
IMNINDOMETHACINA2ALT0.71
IMNINDOMETHACINA2OTH0.71
IMNINDOMETHACINA,B2DM60.71
IMNINDOMETHACINA1S2A0.71
IMNINDOMETHACINA2ZB80.71
IMNINDOMETHACINA3HWZ0.71
IMNINDOMETHACINA2BXK0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.72
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE
A,B1LX60.74
61E4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-
9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-
1,3(2H,6H)-dione
A3BIZ0.72
770N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-
1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-
9-YL]FORMAMIDE
A2Z2W0.73
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.73
SIESULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)-
1H-INDOL-6-YL ESTER
A2BRP0.7
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.72
5MRNALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-
2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-
L-TRYPTOPHANAMIDE
A,B2OVZ0.75
1FR3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-
c]pyridin-3-yl)phenyl]propan-1-
ol
A3DB80.7
IM82-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1R)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYE0.74
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID
A2IN60.73
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H1O5E0.7
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
B1GJ70.7
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H,I1GJ40.7
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
A1GJ60.7
CP4BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-
AMINOETHYL]-ETHYLENE GLYCOL
A,B1EM60.7
IMS2-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1S)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYU0.74
IIA1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-
3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BOH0.79
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE
A1H5U0.7
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE
A1C500.7
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE
A1LWO0.7
P918-bromo-4-(2-chlorophenyl)-N-(2-
hydroxyethyl)-6-methyl-1,3-dioxo-
1,2,3,6-tetrahydropyrrolo[3,4-e]indole-
7-carboxamide
A3CQE0.72