MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00098897

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
LG2	6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID	A,B,C,D	1H9U	0.78
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.73
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.73
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.73
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.73
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.73
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.73
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.73
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.82
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.7
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.73
MTK	MONTELUKAST	A	2NNI	0.77
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.77
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.75
225	FELODIPINE	A	2NNJ	0.77
A46	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide	A,B	2ZB2	0.75
NZA	5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q5S	0.73
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.79
BMS		A,B	1DKF	0.78
IMN	INDOMETHACIN	A	2BXM	0.74
IMN	INDOMETHACIN	A	3FO7	0.74
IMN	INDOMETHACIN	A,B,C,D	1Z9H	0.74
IMN	INDOMETHACIN	A	2BXQ	0.74
IMN	INDOMETHACIN	A,B,C,D	4COX	0.74
IMN	INDOMETHACIN	A	2ALT	0.74
IMN	INDOMETHACIN	A	2OTH	0.74
IMN	INDOMETHACIN	A,B	2DM6	0.74
IMN	INDOMETHACIN	A	1S2A	0.74
IMN	INDOMETHACIN	A	2ZB8	0.74
IMN	INDOMETHACIN	A	3HWZ	0.74
IMN	INDOMETHACIN	A	2BXK	0.74
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.74
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.74
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.74
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.72
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.73
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.73
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.73
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.74
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.74
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.74
IQA	(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID	A	1OM1	0.7
AIZ	3-{6-[(2-CHLOROPHENYL)AMINO]-1H- INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID	A	2B1P	0.71
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.74
NIX	NALIDIXIC ACID	A,B	2BQ2	0.7
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.73
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBT	0.72
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBU	0.72
QND	QUINALDIC ACID	A,B	1IDA	0.85
BRF		A	1UUO	0.82
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.79
HQA	3-(8-hydroxyquinolin-3-yl)-L-alanine	A,B	3FCA	0.7
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.73
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.76
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.73
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.73
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.73
SF1	1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q61	0.73
NTM	QUINOLINIC ACID	A	3C2O	0.7
NTM	QUINOLINIC ACID	A,B	1QAP	0.7
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.7
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.7
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.71
238		A	2PRH	0.85
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.73
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.71