MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02808260

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
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.74
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
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
IQA	(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID	A	1OM1	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	0.77
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.76
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.76
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.76
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.8
116	7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL- 2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5- DIHYDROXY-HEPTANOIC ACID	A,B,C,D	1HWJ	0.72
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.76
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.76
550	methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate	A,B	3EDZ	0.71
HQA	3-(8-hydroxyquinolin-3-yl)-L-alanine	A,B	3FCA	0.71
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.76
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.76
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.76
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.77
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.75
BMS		A,B	1DKF	0.77
MTK	MONTELUKAST	A	2NNI	0.74
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.74
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.77
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.71
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.71
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.73
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.71
NHR	2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN- 6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}- PENTANEDIOIC ACID	A,B	1C3E	0.71
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.89
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.78
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
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.7
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.7
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	0.75
QND	QUINALDIC ACID	A,B	1IDA	0.89
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.7
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.78
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGF	0.71
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGG	0.71
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
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.81
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.77
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.77
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.77
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.77
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.77
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.77
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.71
DPY		A,B	1JES	0.7
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.71
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.7
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.75
238		A	2PRH	0.84
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.72
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.71