MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02114391

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
3MP	3-METHYLPYRIDINE	A	1EUB	0.73
3MP	3-METHYLPYRIDINE	A	1BM6	0.73
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.7
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.7
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.7
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.7
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.7
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.76
MYT	METYRAPONE	A	1PHG	0.82
MYT	METYRAPONE	A	1W0G	0.82
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.75
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.76
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.76
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
311	(3,3-dimethylpiperidin-1-yl)(6- (3-fluoro-4-methylphenyl)pyridin- 2-yl)methanone	A,B,D,E	3CH6	0.74
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.73
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.73
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.73
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.73
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.73
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.73
A2T	N-[1-(3-METHYLBUTYL)PIPERIDIN-4- YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}- 4-PENTYLBENZAMIDE	A,B	2IGY	0.72
A1T	5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL- 4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN- 4-YL]PYRIDINE-2-CARBOXAMIDE	A	2IGX	0.74
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.77
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.71
PM2	1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE	A,B,C,D	2BM2	0.7
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.72
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.75
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.77
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.77
MIL	MILRINONE	A,B	1TLM	0.74
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.71
NIO	NICOTINIC ACID	A	1JHQ	0.7
NIO	NICOTINIC ACID	A	1L5L	0.7
NIO	NICOTINIC ACID	A	2F7F	0.7
NIO	NICOTINIC ACID	A	1L5K	0.7
NIO	NICOTINIC ACID	A	1JHY	0.7
NIO	NICOTINIC ACID	A,B	1FSL	0.7
NIO	NICOTINIC ACID	A	1L5M	0.7
NIO	NICOTINIC ACID	A	1LH6	0.7
NIO	NICOTINIC ACID	A	1JHO	0.7
NIO	NICOTINIC ACID	A	3CI8	0.7
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.7
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.7
NIO	NICOTINIC ACID	A	1JHA	0.7
NIO	NICOTINIC ACID	A	1JHV	0.7
NIO	NICOTINIC ACID	A	1L4N	0.7
NIO	NICOTINIC ACID	A	2LH6	0.7
NIO	NICOTINIC ACID	A	1D0V	0.7
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.7
NIO	NICOTINIC ACID	A,B	1ICR	0.7
NIO	NICOTINIC ACID	A	1JHR	0.7
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.81
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.77
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.77
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.78
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE	A	2V0D	0.74
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.72
QUI	2-CARBOXYQUINOXALINE	A	1PFE	0.72
QUI	2-CARBOXYQUINOXALINE	A,B	2DA8	0.72
QUI	2-CARBOXYQUINOXALINE	A,C,E,G	2ADW	0.72
QUI	2-CARBOXYQUINOXALINE	A	1VS2	0.72
QUI	2-CARBOXYQUINOXALINE	A	1XVN	0.72
QUI	2-CARBOXYQUINOXALINE	A,B	185D	0.72
QUI	2-CARBOXYQUINOXALINE	A	1XVK	0.72
QUI	2-CARBOXYQUINOXALINE	A,C	1XVR	0.72
QUI	2-CARBOXYQUINOXALINE	A,B	3GO3	0.72
8ST	N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide	A	3HNG	0.7
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T	1UW6	0.74
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.74
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.74
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.73
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.73
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.73
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.73
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.73
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.72
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.79
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.79
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE	A	1ZS5	0.73
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.72
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.77
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.77
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.75
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.75
NTM	QUINOLINIC ACID	A	3C2O	0.72
NTM	QUINOLINIC ACID	A,B	1QAP	0.72
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.72
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.72
NCA	NICOTINAMIDE	A,B	2E5D	0.79
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.79
NCA	NICOTINAMIDE	A,B	1DMA	0.79
NCA	NICOTINAMIDE	A,B	1ISM	0.79
NCA	NICOTINAMIDE	A,B	1YC5	0.79
NCA	NICOTINAMIDE	A	2ZB7	0.79
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.79
NCA	NICOTINAMIDE	A,B	2QQG	0.79
NCA	NICOTINAMIDE	A	2OTV	0.79
NCA	NICOTINAMIDE	A	2QHF	0.79
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.79
NCA	NICOTINAMIDE	A,B	2HJH	0.79
NCA	NICOTINAMIDE	A	2A15	0.79
NCA	NICOTINAMIDE	A	2R6V	0.79
NCA	NICOTINAMIDE	A,B	1ISI	0.79
NCA	NICOTINAMIDE	A,D,E	2R9J	0.79
NCA	NICOTINAMIDE	A	2H4J	0.79
NCA	NICOTINAMIDE	A,B	2OD9	0.79
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.79
NCA	NICOTINAMIDE	A,B	3DZG	0.79
NCA	NICOTINAMIDE	A	1OJU	0.79
BRT	5-BROMONICOTINAMIDE	A,B	1GXZ	0.71
C48	N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE	A	1CVZ	0.74
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.85
CII	N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide	A	2W0A	0.73
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.72