MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02351867

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
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.72
238		A	2PRH	0.87
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
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	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
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	0.77
8AD	9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE	A,B	1FN2	0.71
8AD	9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE	A,B	1FN1	0.71
4PP		C,L	1XKA	0.71
4PP		A,B,C,D	1XKB	0.71
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.74
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.74
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.74
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.74
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.74
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.74
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.75
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.71
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.8
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.71
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.78
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
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.72
2T1	2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid	A,B	3FMZ	0.71
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.74
BMS		A,B	1DKF	0.77
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.74
7AD	9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE	A,B	1RQY	0.71
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.79
MTK	MONTELUKAST	A	2NNI	0.74
QND	QUINALDIC ACID	A,B	1IDA	0.87
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	0.76
826	1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE	A,B	1I30	0.71
NHR	2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN- 6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}- PENTANEDIOIC ACID	A,B	1C3E	0.71
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.72
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
FBQ	1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL	A	1HBJ	0.78
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.8
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.82
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.93
073	(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]- 5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID	A,B	2FJM	0.7
073	(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]- 5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID	A,B	2FJN	0.7
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.75
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.73
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.78
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.78
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.78
IQA	(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID	A	1OM1	0.73
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
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.74
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.74
CRZ	4-(9H-CARBAZOL-9-YL)BUTANOIC ACID	A	1TOW	0.71
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.74
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.74
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.74
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.79
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.78
BRF		A	1UUO	0.94