MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00105730

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
PM2	1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE	A,B,C,D	2BM2	0.72
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.72
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.76
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.76
NCA	NICOTINAMIDE	A,B	2E5D	0.85
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.85
NCA	NICOTINAMIDE	A,B	1DMA	0.85
NCA	NICOTINAMIDE	A,B	1ISM	0.85
NCA	NICOTINAMIDE	A,B	1YC5	0.85
NCA	NICOTINAMIDE	A	2ZB7	0.85
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.85
NCA	NICOTINAMIDE	A,B	2QQG	0.85
NCA	NICOTINAMIDE	A	2OTV	0.85
NCA	NICOTINAMIDE	A	2QHF	0.85
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.85
NCA	NICOTINAMIDE	A,B	2HJH	0.85
NCA	NICOTINAMIDE	A	2A15	0.85
NCA	NICOTINAMIDE	A	2R6V	0.85
NCA	NICOTINAMIDE	A,B	1ISI	0.85
NCA	NICOTINAMIDE	A,D,E	2R9J	0.85
NCA	NICOTINAMIDE	A	2H4J	0.85
NCA	NICOTINAMIDE	A,B	2OD9	0.85
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.85
NCA	NICOTINAMIDE	A,B	3DZG	0.85
NCA	NICOTINAMIDE	A	1OJU	0.85
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.72
F10	2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE	X	2P3G	0.7
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.76
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.76
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
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.73
3MP	3-METHYLPYRIDINE	A	1EUB	0.75
3MP	3-METHYLPYRIDINE	A	1BM6	0.75
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.72
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.77
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.7
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.7
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.7
BRT	5-BROMONICOTINAMIDE	A,B	1GXZ	0.77
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.72
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.72
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	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	0.71
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.71
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.71
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.9
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
MYT	METYRAPONE	A	1PHG	0.84
MYT	METYRAPONE	A	1W0G	0.84
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.77
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.73
NTM	QUINOLINIC ACID	A	3C2O	0.75
NTM	QUINOLINIC ACID	A,B	1QAP	0.75
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.75
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.75
NTN	ISONICOTINAMIDINE	A	7ADH	0.72
ISQ	ISOQUINOLINE	A	1GDK	0.72
8ST	N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide	A	3HNG	0.7
NIO	NICOTINIC ACID	A	1JHQ	0.82
NIO	NICOTINIC ACID	A	1L5L	0.82
NIO	NICOTINIC ACID	A	2F7F	0.82
NIO	NICOTINIC ACID	A	1L5K	0.82
NIO	NICOTINIC ACID	A	1JHY	0.82
NIO	NICOTINIC ACID	A,B	1FSL	0.82
NIO	NICOTINIC ACID	A	1L5M	0.82
NIO	NICOTINIC ACID	A	1LH6	0.82
NIO	NICOTINIC ACID	A	1JHO	0.82
NIO	NICOTINIC ACID	A	3CI8	0.82
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.82
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.82
NIO	NICOTINIC ACID	A	1JHA	0.82
NIO	NICOTINIC ACID	A	1JHV	0.82
NIO	NICOTINIC ACID	A	1L4N	0.82
NIO	NICOTINIC ACID	A	2LH6	0.82
NIO	NICOTINIC ACID	A	1D0V	0.82
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.82
NIO	NICOTINIC ACID	A,B	1ICR	0.82
NIO	NICOTINIC ACID	A	1JHR	0.82
IHZ	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide	A	3DKO	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.8
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.8
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.8
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.8
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.8
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.8
MIL	MILRINONE	A,B	1TLM	0.71
NNR	Nicotinamide riboside	A	2QT0	0.74
NNR	Nicotinamide riboside	A	2QT1	0.74
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.72
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.72
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
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.76
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.76
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.76
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.73
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.76
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.76
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.71
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.74
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.71