MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01777722

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
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.75
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.75
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.75
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.71
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.7
CII	N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide	A	2W0A	0.71
CDO	2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN- 3-YL)METHYLCARBAMOYL)-2H-PYRROL- 1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN- 2-YLAMINO)ACETIC ACID	H	2ANM	0.72
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.75
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.72
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.72
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.72
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.72
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.72
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.72
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.72
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.72
163	(2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-2-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID	D,H	1O0D	0.72
NCA	NICOTINAMIDE	A,B	2E5D	0.72
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.72
NCA	NICOTINAMIDE	A,B	1DMA	0.72
NCA	NICOTINAMIDE	A,B	1ISM	0.72
NCA	NICOTINAMIDE	A,B	1YC5	0.72
NCA	NICOTINAMIDE	A	2ZB7	0.72
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.72
NCA	NICOTINAMIDE	A,B	2QQG	0.72
NCA	NICOTINAMIDE	A	2OTV	0.72
NCA	NICOTINAMIDE	A	2QHF	0.72
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.72
NCA	NICOTINAMIDE	A,B	2HJH	0.72
NCA	NICOTINAMIDE	A	2A15	0.72
NCA	NICOTINAMIDE	A	2R6V	0.72
NCA	NICOTINAMIDE	A,B	1ISI	0.72
NCA	NICOTINAMIDE	A,D,E	2R9J	0.72
NCA	NICOTINAMIDE	A	2H4J	0.72
NCA	NICOTINAMIDE	A,B	2OD9	0.72
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.72
NCA	NICOTINAMIDE	A,B	3DZG	0.72
NCA	NICOTINAMIDE	A	1OJU	0.72
N12	N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE	H,P	2ANK	0.72
162	(2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID	D,H	1NZQ	0.7
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.7
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.7
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	A,D,E,G,I,J	1S32	0.73
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	D,I,J	1M18	0.73
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M1A	0.73
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M19	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.74
NTM	QUINOLINIC ACID	A	3C2O	0.74
NTM	QUINOLINIC ACID	A,B	1QAP	0.74
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.74
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.76
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.76
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.76
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.76
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.73
NA9	N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE	H,P	2A2X	0.73
QUI	2-CARBOXYQUINOXALINE	A	1PFE	0.74
QUI	2-CARBOXYQUINOXALINE	A,B	2DA8	0.74
QUI	2-CARBOXYQUINOXALINE	A,C,E,G	2ADW	0.74
QUI	2-CARBOXYQUINOXALINE	A	1VS2	0.74
QUI	2-CARBOXYQUINOXALINE	A	1XVN	0.74
QUI	2-CARBOXYQUINOXALINE	A,B	185D	0.74
QUI	2-CARBOXYQUINOXALINE	A	1XVK	0.74
QUI	2-CARBOXYQUINOXALINE	A,C	1XVR	0.74
QUI	2-CARBOXYQUINOXALINE	A,B	3GO3	0.74
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.75
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.75
NIO	NICOTINIC ACID	A	1JHQ	0.71
NIO	NICOTINIC ACID	A	1L5L	0.71
NIO	NICOTINIC ACID	A	2F7F	0.71
NIO	NICOTINIC ACID	A	1L5K	0.71
NIO	NICOTINIC ACID	A	1JHY	0.71
NIO	NICOTINIC ACID	A,B	1FSL	0.71
NIO	NICOTINIC ACID	A	1L5M	0.71
NIO	NICOTINIC ACID	A	1LH6	0.71
NIO	NICOTINIC ACID	A	1JHO	0.71
NIO	NICOTINIC ACID	A	3CI8	0.71
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.71
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.71
NIO	NICOTINIC ACID	A	1JHA	0.71
NIO	NICOTINIC ACID	A	1JHV	0.71
NIO	NICOTINIC ACID	A	1L4N	0.71
NIO	NICOTINIC ACID	A	2LH6	0.71
NIO	NICOTINIC ACID	A	1D0V	0.71
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.71
NIO	NICOTINIC ACID	A,B	1ICR	0.71
NIO	NICOTINIC ACID	A	1JHR	0.71
PAQ	2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE	A,B,C,D	2C11	0.73
PAQ	2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE	A,B	1SPU	0.73
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.81
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.81