MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02310783

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
ISQ	ISOQUINOLINE	A	1GDK	0.79
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.79
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.7
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.77
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE	A	1ZS5	0.71
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.81
NTN	ISONICOTINAMIDINE	A	7ADH	0.76
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.74
4PP		C,L	1XKA	0.71
4PP		A,B,C,D	1XKB	0.71
NIO	NICOTINIC ACID	A	1JHQ	0.73
NIO	NICOTINIC ACID	A	1L5L	0.73
NIO	NICOTINIC ACID	A	2F7F	0.73
NIO	NICOTINIC ACID	A	1L5K	0.73
NIO	NICOTINIC ACID	A	1JHY	0.73
NIO	NICOTINIC ACID	A,B	1FSL	0.73
NIO	NICOTINIC ACID	A	1L5M	0.73
NIO	NICOTINIC ACID	A	1LH6	0.73
NIO	NICOTINIC ACID	A	1JHO	0.73
NIO	NICOTINIC ACID	A	3CI8	0.73
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.73
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.73
NIO	NICOTINIC ACID	A	1JHA	0.73
NIO	NICOTINIC ACID	A	1JHV	0.73
NIO	NICOTINIC ACID	A	1L4N	0.73
NIO	NICOTINIC ACID	A	2LH6	0.73
NIO	NICOTINIC ACID	A	1D0V	0.73
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.73
NIO	NICOTINIC ACID	A,B	1ICR	0.73
NIO	NICOTINIC ACID	A	1JHR	0.73
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.71
218	1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM	A	2HOP	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.72
NCA	NICOTINAMIDE	A,B	2E5D	0.7
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.7
NCA	NICOTINAMIDE	A,B	1DMA	0.7
NCA	NICOTINAMIDE	A,B	1ISM	0.7
NCA	NICOTINAMIDE	A,B	1YC5	0.7
NCA	NICOTINAMIDE	A	2ZB7	0.7
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.7
NCA	NICOTINAMIDE	A,B	2QQG	0.7
NCA	NICOTINAMIDE	A	2OTV	0.7
NCA	NICOTINAMIDE	A	2QHF	0.7
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.7
NCA	NICOTINAMIDE	A,B	2HJH	0.7
NCA	NICOTINAMIDE	A	2A15	0.7
NCA	NICOTINAMIDE	A	2R6V	0.7
NCA	NICOTINAMIDE	A,B	1ISI	0.7
NCA	NICOTINAMIDE	A,D,E	2R9J	0.7
NCA	NICOTINAMIDE	A	2H4J	0.7
NCA	NICOTINAMIDE	A,B	2OD9	0.7
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.7
NCA	NICOTINAMIDE	A,B	3DZG	0.7
NCA	NICOTINAMIDE	A	1OJU	0.7
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.76
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.72
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.72
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.78
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.71
PYS	2-PYRIDINETHIOL	A	2IPP	0.71
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.71
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.72
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.72
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.72
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE	A	2AAQ	0.73
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.76
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	0.81
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.81
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.81
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.7
GPI	(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE	A	1F40	0.7
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.75
MYT	METYRAPONE	A	1PHG	0.74
MYT	METYRAPONE	A	1W0G	0.74
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.71
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.73
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.82
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.73
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.73
PF7	4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid	A,B	2VYA	0.74
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.74
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.71
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.83
3MP	3-METHYLPYRIDINE	A	1EUB	0.82
3MP	3-METHYLPYRIDINE	A	1BM6	0.82
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
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.71
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.71
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.71
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.71
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.77
MIL	MILRINONE	A,B	1TLM	0.71
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.77
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.73
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.73
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.71
IMQ	(2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol	A,B	3EPX	0.73
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.72
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.83
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.87
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.87
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.87
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.87
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.87
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.87
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AH0	0.72
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AGZ	0.72
PHN	1,10-PHENANTHROLINE	A	1LIH	0.71
PHN	1,10-PHENANTHROLINE	A	2LIG	0.71
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.71
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.71
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.75
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.74
DRP	2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE	A,B	1JES	0.75