MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049775

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
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.74
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.77
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.8
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	0.78
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.71
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.81
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.81
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.73
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.89
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.89
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.79
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	A,D,E,G,I,J	1S32	0.71
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	D,I,J	1M18	0.71
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M1A	0.71
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M19	0.71
BRT	5-BROMONICOTINAMIDE	A,B	1GXZ	0.72
3MP	3-METHYLPYRIDINE	A	1EUB	0.7
3MP	3-METHYLPYRIDINE	A	1BM6	0.7
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.73
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.73
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.73
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.73
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.73
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.83
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.72
368	(1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE	A	1ZLR	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QSZ	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1TA8	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1HYB	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAA	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA9	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUP	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUS	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1Y1P	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C,D,E,F	2GVG	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA8	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAB	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZK	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C	1GZU	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2H3D	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2G96	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QG6	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1ISJ	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZJ	0.71
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2HCT	0.71
NIO	NICOTINIC ACID	A	1JHQ	0.98
NIO	NICOTINIC ACID	A	1L5L	0.98
NIO	NICOTINIC ACID	A	2F7F	0.98
NIO	NICOTINIC ACID	A	1L5K	0.98
NIO	NICOTINIC ACID	A	1JHY	0.98
NIO	NICOTINIC ACID	A,B	1FSL	0.98
NIO	NICOTINIC ACID	A	1L5M	0.98
NIO	NICOTINIC ACID	A	1LH6	0.98
NIO	NICOTINIC ACID	A	1JHO	0.98
NIO	NICOTINIC ACID	A	3CI8	0.98
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.98
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.98
NIO	NICOTINIC ACID	A	1JHA	0.98
NIO	NICOTINIC ACID	A	1JHV	0.98
NIO	NICOTINIC ACID	A	1L4N	0.98
NIO	NICOTINIC ACID	A	2LH6	0.98
NIO	NICOTINIC ACID	A	1D0V	0.98
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.98
NIO	NICOTINIC ACID	A,B	1ICR	0.98
NIO	NICOTINIC ACID	A	1JHR	0.98
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.72
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A,B	2QTN	0.8
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4F	0.8
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4L	0.8
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D	1YUM	0.8
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4M	0.8
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D,E,F	1QPN	0.8
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C	2B7Q	0.8
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4K	0.8
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4G	0.8
NCN	NICOTINATE MONONUCLEOTIDE	A	1YTK	0.8
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4H	0.8
NCN	NICOTINATE MONONUCLEOTIDE	A	1L5O	0.8
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.82
NCA	NICOTINAMIDE	A,B	2E5D	0.8
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.8
NCA	NICOTINAMIDE	A,B	1DMA	0.8
NCA	NICOTINAMIDE	A,B	1ISM	0.8
NCA	NICOTINAMIDE	A,B	1YC5	0.8
NCA	NICOTINAMIDE	A	2ZB7	0.8
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.8
NCA	NICOTINAMIDE	A,B	2QQG	0.8
NCA	NICOTINAMIDE	A	2OTV	0.8
NCA	NICOTINAMIDE	A	2QHF	0.8
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.8
NCA	NICOTINAMIDE	A,B	2HJH	0.8
NCA	NICOTINAMIDE	A	2A15	0.8
NCA	NICOTINAMIDE	A	2R6V	0.8
NCA	NICOTINAMIDE	A,B	1ISI	0.8
NCA	NICOTINAMIDE	A,D,E	2R9J	0.8
NCA	NICOTINAMIDE	A	2H4J	0.8
NCA	NICOTINAMIDE	A,B	2OD9	0.8
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.8
NCA	NICOTINAMIDE	A,B	3DZG	0.8
NCA	NICOTINAMIDE	A	1OJU	0.8
QUI	2-CARBOXYQUINOXALINE	A	1PFE	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	2DA8	0.7
QUI	2-CARBOXYQUINOXALINE	A,C,E,G	2ADW	0.7
QUI	2-CARBOXYQUINOXALINE	A	1VS2	0.7
QUI	2-CARBOXYQUINOXALINE	A	1XVN	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	185D	0.7
QUI	2-CARBOXYQUINOXALINE	A	1XVK	0.7
QUI	2-CARBOXYQUINOXALINE	A,C	1XVR	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	3GO3	0.7
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.78
MYT	METYRAPONE	A	1PHG	0.73
MYT	METYRAPONE	A	1W0G	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.73
NNR	Nicotinamide riboside	A	2QT0	0.74
NNR	Nicotinamide riboside	A	2QT1	0.74
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
NA3	(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID	A	1RE1	0.71
NTM	QUINOLINIC ACID	A	3C2O	0.86
NTM	QUINOLINIC ACID	A,B	1QAP	0.86
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.86
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.86
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.79
QND	QUINALDIC ACID	A,B	1IDA	0.7
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.74
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.81
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.81
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.8
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.8
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.8
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.8