MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03071534

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
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.75
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
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.76
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.75
BRF		A	1UUO	0.89
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.75
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.73
MTK	MONTELUKAST	A	2NNI	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
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.74
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.76
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.76
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.76
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.76
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.76
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.76
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.7
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.7
BMS		A,B	1DKF	0.77
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.71
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.71
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.71
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.7
QND	QUINALDIC ACID	A,B	1IDA	0.88
116	7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL- 2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5- DIHYDROXY-HEPTANOIC ACID	A,B,C,D	1HWJ	0.71
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.89
IQA	(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID	A	1OM1	0.7
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.76
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.74
FBQ	1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL	A	1HBJ	0.72
PXG	3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID	A	1B9I	0.71
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.74
D3E	N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide	A,B,C,D	3D3E	0.72
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.74
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.78
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.76
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.76
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.76
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.76
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.76
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.76
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.8
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.8
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.8
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.75
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.75
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.75
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.71
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.71
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.79
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.76
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.7
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.7
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.77
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.77
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.77
238		A	2PRH	0.84
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.72
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.71
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.75
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.75