MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02330144

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
24X		H,L	2EC9	0.76
DZF	5-DEAZAFOLIC ACID	A,B	2DHF	0.71
DZF	5-DEAZAFOLIC ACID	A,B	1DYH	0.71
DZF	5-DEAZAFOLIC ACID	A,B,C,D	1CDE	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A,B	2QTN	0.75
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4F	0.75
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4L	0.75
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D	1YUM	0.75
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4M	0.75
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D,E,F	1QPN	0.75
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C	2B7Q	0.75
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4K	0.75
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4G	0.75
NCN	NICOTINATE MONONUCLEOTIDE	A	1YTK	0.75
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4H	0.75
NCN	NICOTINATE MONONUCLEOTIDE	A	1L5O	0.75
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.74
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.71
OAI	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID	A	1C83	0.72
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.73
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.73
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.73
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.76
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.72
BRT	5-BROMONICOTINAMIDE	A,B	1GXZ	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
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	0.73
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.72
AXD	2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID	B	2I03	0.71
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
PM2	1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE	A,B,C,D	2BM2	0.73
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	0.71
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.71
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.82
NNR	Nicotinamide riboside	A	2QT0	0.75
NNR	Nicotinamide riboside	A	2QT1	0.75
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.72
NA3	(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID	A	1RE1	0.8
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.74
4PP		C,L	1XKA	0.7
4PP		A,B,C,D	1XKB	0.7
P10	[1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER	A	1ME3	0.7
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
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.73
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.73
BMS		A,B	1DKF	0.71
NTM	QUINOLINIC ACID	A	3C2O	0.78
NTM	QUINOLINIC ACID	A,B	1QAP	0.78
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.78
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.78
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.78
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.74
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.74
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
NIO	NICOTINIC ACID	A	1JHQ	0.88
NIO	NICOTINIC ACID	A	1L5L	0.88
NIO	NICOTINIC ACID	A	2F7F	0.88
NIO	NICOTINIC ACID	A	1L5K	0.88
NIO	NICOTINIC ACID	A	1JHY	0.88
NIO	NICOTINIC ACID	A,B	1FSL	0.88
NIO	NICOTINIC ACID	A	1L5M	0.88
NIO	NICOTINIC ACID	A	1LH6	0.88
NIO	NICOTINIC ACID	A	1JHO	0.88
NIO	NICOTINIC ACID	A	3CI8	0.88
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.88
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.88
NIO	NICOTINIC ACID	A	1JHA	0.88
NIO	NICOTINIC ACID	A	1JHV	0.88
NIO	NICOTINIC ACID	A	1L4N	0.88
NIO	NICOTINIC ACID	A	2LH6	0.88
NIO	NICOTINIC ACID	A	1D0V	0.88
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.88
NIO	NICOTINIC ACID	A,B	1ICR	0.88
NIO	NICOTINIC ACID	A	1JHR	0.88
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.74
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.81
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.71