MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00741641

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
MYT	METYRAPONE	A	1PHG	0.82
MYT	METYRAPONE	A	1W0G	0.82
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.74
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.74
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.74
BRT	5-BROMONICOTINAMIDE	A,B	1GXZ	0.73
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.74
GPI	(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE	A	1F40	0.79
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.88
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
MIL	MILRINONE	A,B	1TLM	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A,B	2QTN	0.74
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4F	0.74
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4L	0.74
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D	1YUM	0.74
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4M	0.74
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D,E,F	1QPN	0.74
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C	2B7Q	0.74
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4K	0.74
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4G	0.74
NCN	NICOTINATE MONONUCLEOTIDE	A	1YTK	0.74
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4H	0.74
NCN	NICOTINATE MONONUCLEOTIDE	A	1L5O	0.74
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.74
NNR	Nicotinamide riboside	A	2QT0	0.76
NNR	Nicotinamide riboside	A	2QT1	0.76
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.75
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.75
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.75
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.75
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.8
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.71
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
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.76
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QSZ	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1TA8	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1HYB	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAA	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA9	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUP	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUS	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1Y1P	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C,D,E,F	2GVG	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA8	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAB	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZK	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C	1GZU	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2H3D	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2G96	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QG6	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1ISJ	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZJ	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2HCT	0.73
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.77
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.77
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.77
PM2	1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE	A,B,C,D	2BM2	0.71
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
NA3	(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID	A	1RE1	0.71
D1G	N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDU	0.72
NCA	NICOTINAMIDE	A,B	2E5D	0.81
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.81
NCA	NICOTINAMIDE	A,B	1DMA	0.81
NCA	NICOTINAMIDE	A,B	1ISM	0.81
NCA	NICOTINAMIDE	A,B	1YC5	0.81
NCA	NICOTINAMIDE	A	2ZB7	0.81
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.81
NCA	NICOTINAMIDE	A,B	2QQG	0.81
NCA	NICOTINAMIDE	A	2OTV	0.81
NCA	NICOTINAMIDE	A	2QHF	0.81
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.81
NCA	NICOTINAMIDE	A,B	2HJH	0.81
NCA	NICOTINAMIDE	A	2A15	0.81
NCA	NICOTINAMIDE	A	2R6V	0.81
NCA	NICOTINAMIDE	A,B	1ISI	0.81
NCA	NICOTINAMIDE	A,D,E	2R9J	0.81
NCA	NICOTINAMIDE	A	2H4J	0.81
NCA	NICOTINAMIDE	A,B	2OD9	0.81
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.81
NCA	NICOTINAMIDE	A,B	3DZG	0.81
NCA	NICOTINAMIDE	A	1OJU	0.81
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
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	0.72
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.72
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.72
NTM	QUINOLINIC ACID	A	3C2O	0.77
NTM	QUINOLINIC ACID	A,B	1QAP	0.77
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.77
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.77
D2G	N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDV	0.7
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.76