MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03283998

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
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.74
MTK	MONTELUKAST	A	2NNI	0.78
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
BRF		A	1UUO	0.85
BMS		A,B	1DKF	0.74
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.77
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.77
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.77
225	FELODIPINE	A	2NNJ	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.7
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.74
LCF	[6-(4-CHLOROPHENYL)-2,2-DIMETHYL- 7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN- 5-YL]ACETIC ACID	A	1ZYX	0.71
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	0.73
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.75
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.72
238		A	2PRH	0.9
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.72
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.71
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.72
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.71
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.71
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.71
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.73
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.77
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.76
IMN	INDOMETHACIN	A	2BXM	0.73
IMN	INDOMETHACIN	A	3FO7	0.73
IMN	INDOMETHACIN	A,B,C,D	1Z9H	0.73
IMN	INDOMETHACIN	A	2BXQ	0.73
IMN	INDOMETHACIN	A,B,C,D	4COX	0.73
IMN	INDOMETHACIN	A	2ALT	0.73
IMN	INDOMETHACIN	A	2OTH	0.73
IMN	INDOMETHACIN	A,B	2DM6	0.73
IMN	INDOMETHACIN	A	1S2A	0.73
IMN	INDOMETHACIN	A	2ZB8	0.73
IMN	INDOMETHACIN	A	3HWZ	0.73
IMN	INDOMETHACIN	A	2BXK	0.73
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.75
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.85
A46	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide	A,B	2ZB2	0.71
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.71
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.72
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	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
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.72
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.72
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.72
QND	QUINALDIC ACID	A,B	1IDA	0.85
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.73
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBT	0.73
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBU	0.73
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.82
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.73
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.74