MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02310771

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
PXM	4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL	A	1RFT	0.7
PXM	4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL	A,B	2Z9V	0.7
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.7
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.79
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.72
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.73
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.73
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.73
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE	A	2AAQ	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	0.82
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.82
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.82
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.78
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.73
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.73
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.81
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.74
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
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.84
DRP	2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE	A,B	1JES	0.76
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
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.76
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.72
D4G		A,B,C,D	2FDY	0.7
TPL	TRYPTOPHANOL	A	1EE7	0.7
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.71
PYS	2-PYRIDINETHIOL	A	2IPP	0.71
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.77
PHN	1,10-PHENANTHROLINE	A	1LIH	0.72
PHN	1,10-PHENANTHROLINE	A	2LIG	0.72
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.72
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.7
218	1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM	A	2HOP	0.73
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.71
ISQ	ISOQUINOLINE	A	1GDK	0.8
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.72
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.72
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.72
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.75
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.7
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.82
NTN	ISONICOTINAMIDINE	A	7ADH	0.77
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.71
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.74
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE	A	1ZS5	0.72
3MP	3-METHYLPYRIDINE	A	1EUB	0.82
3MP	3-METHYLPYRIDINE	A	1BM6	0.82
IMQ	(2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol	A,B	3EPX	0.72
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.73
4PP		C,L	1XKA	0.7
4PP		A,B,C,D	1XKB	0.7
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
PF7	4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid	A,B	2VYA	0.73
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.74
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.74
MYT	METYRAPONE	A	1PHG	0.75
MYT	METYRAPONE	A	1W0G	0.75
MIL	MILRINONE	A,B	1TLM	0.71
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AH0	0.73
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AGZ	0.73
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
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
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.71
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.77
NCA	NICOTINAMIDE	A,B	2E5D	0.71
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.71
NCA	NICOTINAMIDE	A,B	1DMA	0.71
NCA	NICOTINAMIDE	A,B	1ISM	0.71
NCA	NICOTINAMIDE	A,B	1YC5	0.71
NCA	NICOTINAMIDE	A	2ZB7	0.71
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.71
NCA	NICOTINAMIDE	A,B	2QQG	0.71
NCA	NICOTINAMIDE	A	2OTV	0.71
NCA	NICOTINAMIDE	A	2QHF	0.71
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.71
NCA	NICOTINAMIDE	A,B	2HJH	0.71
NCA	NICOTINAMIDE	A	2A15	0.71
NCA	NICOTINAMIDE	A	2R6V	0.71
NCA	NICOTINAMIDE	A,B	1ISI	0.71
NCA	NICOTINAMIDE	A,D,E	2R9J	0.71
NCA	NICOTINAMIDE	A	2H4J	0.71
NCA	NICOTINAMIDE	A,B	2OD9	0.71
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.71
NCA	NICOTINAMIDE	A,B	3DZG	0.71
NCA	NICOTINAMIDE	A	1OJU	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.88
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.88
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.88
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.88
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.88
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.88
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.83
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.75
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.75
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.71