MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02826514

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
225	FELODIPINE	A	2NNJ	0.74
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.71
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.71
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.71
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.71
PIX	4-(3-{[5-(trifluoromethyl)pyridin- 2-yl]oxy}benzyl)piperidine-1-carboxylic acid	A,B	2WAP	0.7
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.71
NCA	NICOTINAMIDE	A,B	2E5D	0.73
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.73
NCA	NICOTINAMIDE	A,B	1DMA	0.73
NCA	NICOTINAMIDE	A,B	1ISM	0.73
NCA	NICOTINAMIDE	A,B	1YC5	0.73
NCA	NICOTINAMIDE	A	2ZB7	0.73
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.73
NCA	NICOTINAMIDE	A,B	2QQG	0.73
NCA	NICOTINAMIDE	A	2OTV	0.73
NCA	NICOTINAMIDE	A	2QHF	0.73
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.73
NCA	NICOTINAMIDE	A,B	2HJH	0.73
NCA	NICOTINAMIDE	A	2A15	0.73
NCA	NICOTINAMIDE	A	2R6V	0.73
NCA	NICOTINAMIDE	A,B	1ISI	0.73
NCA	NICOTINAMIDE	A,D,E	2R9J	0.73
NCA	NICOTINAMIDE	A	2H4J	0.73
NCA	NICOTINAMIDE	A,B	2OD9	0.73
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.73
NCA	NICOTINAMIDE	A,B	3DZG	0.73
NCA	NICOTINAMIDE	A	1OJU	0.73
NIO	NICOTINIC ACID	A	1JHQ	0.84
NIO	NICOTINIC ACID	A	1L5L	0.84
NIO	NICOTINIC ACID	A	2F7F	0.84
NIO	NICOTINIC ACID	A	1L5K	0.84
NIO	NICOTINIC ACID	A	1JHY	0.84
NIO	NICOTINIC ACID	A,B	1FSL	0.84
NIO	NICOTINIC ACID	A	1L5M	0.84
NIO	NICOTINIC ACID	A	1LH6	0.84
NIO	NICOTINIC ACID	A	1JHO	0.84
NIO	NICOTINIC ACID	A	3CI8	0.84
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.84
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.84
NIO	NICOTINIC ACID	A	1JHA	0.84
NIO	NICOTINIC ACID	A	1JHV	0.84
NIO	NICOTINIC ACID	A	1L4N	0.84
NIO	NICOTINIC ACID	A	2LH6	0.84
NIO	NICOTINIC ACID	A	1D0V	0.84
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.84
NIO	NICOTINIC ACID	A,B	1ICR	0.84
NIO	NICOTINIC ACID	A	1JHR	0.84
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.76
NCN	NICOTINATE MONONUCLEOTIDE	A,B	2QTN	0.78
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4F	0.78
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4L	0.78
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D	1YUM	0.78
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4M	0.78
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D,E,F	1QPN	0.78
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C	2B7Q	0.78
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4K	0.78
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4G	0.78
NCN	NICOTINATE MONONUCLEOTIDE	A	1YTK	0.78
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4H	0.78
NCN	NICOTINATE MONONUCLEOTIDE	A	1L5O	0.78
FXV	METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE	A	1KSN	0.72
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.72
D3G	(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE	A,B,C,D	2FDW	0.79
D1G	N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDU	0.79
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.72
627	N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE	A,B	2J50	0.7
627	N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE	A,B	2V7A	0.7
TIT	N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]- 3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)- L-VALYL]AMINO}PENTANOYL)-L-ALANYL- L-LEUCINAMIDE	A,B	1W6H	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.72
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.72
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.76
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.77
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.77
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.72
T19	PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL	H,I	1AIX	0.71
BI5	4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE	A	1ZYJ	0.72
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.8
MYT	METYRAPONE	A	1PHG	0.76
MYT	METYRAPONE	A	1W0G	0.76
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.73
896	N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE	B,H	2UUJ	0.7
24X		H,L	2EC9	0.7
116	7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL- 2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5- DIHYDROXY-HEPTANOIC ACID	A,B,C,D	1HWJ	0.71
C80	(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1- BENZYL-1H-INDOLE-3-CARBOXYLATE	C,O	2V11	0.72
NNR	Nicotinamide riboside	A	2QT0	0.73
NNR	Nicotinamide riboside	A	2QT1	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	0.73
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.73
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.73
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.73
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.73
PXG	3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID	A	1B9I	0.71
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	0.8
7CS	(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE	A	2QHM	0.72
P10	[1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER	A	1ME3	0.74
GPI	(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE	A	1F40	0.73
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.73
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
368	(1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE	A	1ZLR	0.83
DPY		A,B	1JES	0.7
QND	QUINALDIC ACID	A,B	1IDA	0.7
DRP	2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE	A,B	1JES	0.75
INP	4-[[N-[(PHENYLMETHOXY)CARBONYL]- /NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4- (PYRIDINYLMETHOXY)CARBONYL]AMINO]- 4-METHYLPENT/NYL]-3-PYRROLIDINONE/N	A	1AU4	0.74
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QSZ	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1TA8	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1HYB	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAA	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA9	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUP	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUS	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1Y1P	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C,D,E,F	2GVG	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA8	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAB	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZK	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C	1GZU	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2H3D	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2G96	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QG6	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1ISJ	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZJ	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2HCT	0.7
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.76
D2G	N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDV	0.78