MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00103321

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
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.74
4HG	N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2G19	0.73
4HG	N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2G1M	0.73
BMS		A,B	1DKF	0.75
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.73
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.7
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.7
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.7
OAI	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID	A	1C83	0.72
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.74
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.73
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.73
CNQ	3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE	A,B,C,D	1WOK	0.77
QUI	2-CARBOXYQUINOXALINE	A	1PFE	0.81
QUI	2-CARBOXYQUINOXALINE	A,B	2DA8	0.81
QUI	2-CARBOXYQUINOXALINE	A,C,E,G	2ADW	0.81
QUI	2-CARBOXYQUINOXALINE	A	1VS2	0.81
QUI	2-CARBOXYQUINOXALINE	A	1XVN	0.81
QUI	2-CARBOXYQUINOXALINE	A,B	185D	0.81
QUI	2-CARBOXYQUINOXALINE	A	1XVK	0.81
QUI	2-CARBOXYQUINOXALINE	A,C	1XVR	0.81
QUI	2-CARBOXYQUINOXALINE	A,B	3GO3	0.81
PXG	3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID	A	1B9I	0.74
4QB	3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-HEXANOYLAMINO}-4- OXO-BUTYRIC ACID	A	1RWN	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.77
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.77
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.81
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.76
PT1	PTEROIC ACID	A,B	1TX0	0.72
PT1	PTEROIC ACID	A	1BR6	0.72
PT1	PTEROIC ACID	A,B	1HWP	0.72
PHN	1,10-PHENANTHROLINE	A	1LIH	0.72
PHN	1,10-PHENANTHROLINE	A	2LIG	0.72
PHN	1,10-PHENANTHROLINE	A,B	2FU7	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
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.7
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
R69	N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE	A	1XH4	0.7
R69	N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE	A	1XH9	0.7
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.76
QND	QUINALDIC ACID	A,B	1IDA	0.81
BRF		A	1UUO	0.77
S91	[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID	A	2Z8C	0.7
S91	[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID	A	2Z7L	0.7
NTM	QUINOLINIC ACID	A	3C2O	0.79
NTM	QUINOLINIC ACID	A,B	1QAP	0.79
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.79
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.79
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.7
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.8
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.79
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.79
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.79
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.79
HQA	3-(8-hydroxyquinolin-3-yl)-L-alanine	A,B	3FCA	0.73
QYT	(5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE	A	2A5U	0.72
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.74
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.71
OQB	4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-METHYL}-PYRIDINE- 3-CARBONYL)-AMINO]-BUTYRIC ACID	A	1RWW	0.71
PD8	PHOSPHORYLATED DIHYDROPTEROATE	A	1W78	0.71
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	0.73
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.84
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.84
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.84
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.72
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.72
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	0.8
NIO	NICOTINIC ACID	A	1JHQ	0.79
NIO	NICOTINIC ACID	A	1L5L	0.79
NIO	NICOTINIC ACID	A	2F7F	0.79
NIO	NICOTINIC ACID	A	1L5K	0.79
NIO	NICOTINIC ACID	A	1JHY	0.79
NIO	NICOTINIC ACID	A,B	1FSL	0.79
NIO	NICOTINIC ACID	A	1L5M	0.79
NIO	NICOTINIC ACID	A	1LH6	0.79
NIO	NICOTINIC ACID	A	1JHO	0.79
NIO	NICOTINIC ACID	A	3CI8	0.79
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.79
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.79
NIO	NICOTINIC ACID	A	1JHA	0.79
NIO	NICOTINIC ACID	A	1JHV	0.79
NIO	NICOTINIC ACID	A	1L4N	0.79
NIO	NICOTINIC ACID	A	2LH6	0.79
NIO	NICOTINIC ACID	A	1D0V	0.79
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.79
NIO	NICOTINIC ACID	A,B	1ICR	0.79
NIO	NICOTINIC ACID	A	1JHR	0.79
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	A,D,E,G,I,J	1S32	0.7
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	D,I,J	1M18	0.7
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M1A	0.7
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M19	0.7
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.73
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.7
APT	2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)- METHYL]-4-HYDROXY-PTERIDIN-1-IUM	A,B	1QCJ	0.71
238		A	2PRH	0.73
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.71
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.71
IHZ	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide	A	3DKO	0.72
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.72
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.72
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.72
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.72
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.72
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.72
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.77
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.71
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.74
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.71
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.76