MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002648

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
BRT	5-BROMONICOTINAMIDE	A,B	1GXZ	0.74
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.8
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.84
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.73
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.74
QUI	2-CARBOXYQUINOXALINE	A	1PFE	0.71
QUI	2-CARBOXYQUINOXALINE	A,B	2DA8	0.71
QUI	2-CARBOXYQUINOXALINE	A,C,E,G	2ADW	0.71
QUI	2-CARBOXYQUINOXALINE	A	1VS2	0.71
QUI	2-CARBOXYQUINOXALINE	A	1XVN	0.71
QUI	2-CARBOXYQUINOXALINE	A,B	185D	0.71
QUI	2-CARBOXYQUINOXALINE	A	1XVK	0.71
QUI	2-CARBOXYQUINOXALINE	A,C	1XVR	0.71
QUI	2-CARBOXYQUINOXALINE	A,B	3GO3	0.71
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.78
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.75
368	(1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE	A	1ZLR	0.74
NIO	NICOTINIC ACID	A	1JHQ	1
NIO	NICOTINIC ACID	A	1L5L	1
NIO	NICOTINIC ACID	A	2F7F	1
NIO	NICOTINIC ACID	A	1L5K	1
NIO	NICOTINIC ACID	A	1JHY	1
NIO	NICOTINIC ACID	A,B	1FSL	1
NIO	NICOTINIC ACID	A	1L5M	1
NIO	NICOTINIC ACID	A	1LH6	1
NIO	NICOTINIC ACID	A	1JHO	1
NIO	NICOTINIC ACID	A	3CI8	1
NIO	NICOTINIC ACID	A,B,C,D	1ICU	1
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	1
NIO	NICOTINIC ACID	A	1JHA	1
NIO	NICOTINIC ACID	A	1JHV	1
NIO	NICOTINIC ACID	A	1L4N	1
NIO	NICOTINIC ACID	A	2LH6	1
NIO	NICOTINIC ACID	A	1D0V	1
NIO	NICOTINIC ACID	A,B,C,D	1ICV	1
NIO	NICOTINIC ACID	A,B	1ICR	1
NIO	NICOTINIC ACID	A	1JHR	1
NNR	Nicotinamide riboside	A	2QT0	0.76
NNR	Nicotinamide riboside	A	2QT1	0.76
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.91
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.91
NTM	QUINOLINIC ACID	A	3C2O	0.88
NTM	QUINOLINIC ACID	A,B	1QAP	0.88
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.88
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.88
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.83
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.83
3MP	3-METHYLPYRIDINE	A	1EUB	0.72
3MP	3-METHYLPYRIDINE	A	1BM6	0.72
D1G	N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDU	0.71
QND	QUINALDIC ACID	A,B	1IDA	0.71
D3G	(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE	A,B,C,D	2FDW	0.71
NA3	(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID	A	1RE1	0.72
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.8
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.81
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.74
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.74
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.74
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.74
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.74
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.83
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.83
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.7
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.7
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
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.8
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	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	0.79
MYT	METYRAPONE	A	1PHG	0.75
MYT	METYRAPONE	A	1W0G	0.75
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	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QSZ	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1TA8	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1HYB	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAA	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA9	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUP	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUS	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1Y1P	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C,D,E,F	2GVG	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA8	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAB	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZK	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C	1GZU	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2H3D	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2G96	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QG6	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1ISJ	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZJ	0.72
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2HCT	0.72
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.75
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.84
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
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.82
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.82
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.82
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.82
ZZA	1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID	A,B,D	2VCW	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A,B	2QTN	0.81
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4F	0.81
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4L	0.81
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D	1YUM	0.81
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4M	0.81
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D,E,F	1QPN	0.81
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C	2B7Q	0.81
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4K	0.81
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4G	0.81
NCN	NICOTINATE MONONUCLEOTIDE	A	1YTK	0.81
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4H	0.81
NCN	NICOTINATE MONONUCLEOTIDE	A	1L5O	0.81
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	A,D,E,G,I,J	1S32	0.72
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	D,I,J	1M18	0.72
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M1A	0.72
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M19	0.72