MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02336070

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
MIL	MILRINONE	A,B	1TLM	0.72
14C	2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3C06	0.7
14C	2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3C0A	0.7
8ST	N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide	A	3HNG	0.71
3MP	3-METHYLPYRIDINE	A	1EUB	0.74
3MP	3-METHYLPYRIDINE	A	1BM6	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.7
NCA	NICOTINAMIDE	A,B	2E5D	0.84
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.84
NCA	NICOTINAMIDE	A,B	1DMA	0.84
NCA	NICOTINAMIDE	A,B	1ISM	0.84
NCA	NICOTINAMIDE	A,B	1YC5	0.84
NCA	NICOTINAMIDE	A	2ZB7	0.84
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.84
NCA	NICOTINAMIDE	A,B	2QQG	0.84
NCA	NICOTINAMIDE	A	2OTV	0.84
NCA	NICOTINAMIDE	A	2QHF	0.84
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.84
NCA	NICOTINAMIDE	A,B	2HJH	0.84
NCA	NICOTINAMIDE	A	2A15	0.84
NCA	NICOTINAMIDE	A	2R6V	0.84
NCA	NICOTINAMIDE	A,B	1ISI	0.84
NCA	NICOTINAMIDE	A,D,E	2R9J	0.84
NCA	NICOTINAMIDE	A	2H4J	0.84
NCA	NICOTINAMIDE	A,B	2OD9	0.84
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.84
NCA	NICOTINAMIDE	A,B	3DZG	0.84
NCA	NICOTINAMIDE	A	1OJU	0.84
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.77
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.74
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.71
NIO	NICOTINIC ACID	A	1JHQ	0.77
NIO	NICOTINIC ACID	A	1L5L	0.77
NIO	NICOTINIC ACID	A	2F7F	0.77
NIO	NICOTINIC ACID	A	1L5K	0.77
NIO	NICOTINIC ACID	A	1JHY	0.77
NIO	NICOTINIC ACID	A,B	1FSL	0.77
NIO	NICOTINIC ACID	A	1L5M	0.77
NIO	NICOTINIC ACID	A	1LH6	0.77
NIO	NICOTINIC ACID	A	1JHO	0.77
NIO	NICOTINIC ACID	A	3CI8	0.77
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.77
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.77
NIO	NICOTINIC ACID	A	1JHA	0.77
NIO	NICOTINIC ACID	A	1JHV	0.77
NIO	NICOTINIC ACID	A	1L4N	0.77
NIO	NICOTINIC ACID	A	2LH6	0.77
NIO	NICOTINIC ACID	A	1D0V	0.77
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.77
NIO	NICOTINIC ACID	A,B	1ICR	0.77
NIO	NICOTINIC ACID	A	1JHR	0.77
IHZ	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide	A	3DKO	0.71
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.7
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.7
PM2	1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE	A,B,C,D	2BM2	0.73
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.71
NTN	ISONICOTINAMIDINE	A	7ADH	0.7
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.74
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.73
ISQ	ISOQUINOLINE	A	1GDK	0.74
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
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
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.81
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
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	0.7
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.7
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.7
BRT	5-BROMONICOTINAMIDE	A,B	1GXZ	0.76
MYT	METYRAPONE	A	1PHG	0.86
MYT	METYRAPONE	A	1W0G	0.86
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.89