MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006738

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
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL	A,B	2DV2	0.73
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL	A,B	2FXJ	0.73
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.71
TPL	TRYPTOPHANOL	A	1EE7	0.73
IMQ	(2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol	A,B	3EPX	0.76
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.71
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.71
3MP	3-METHYLPYRIDINE	A	1EUB	0.75
3MP	3-METHYLPYRIDINE	A	1BM6	0.75
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE	A	2AAQ	0.72
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.71
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.74
NTN	ISONICOTINAMIDINE	A	7ADH	0.71
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.7
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.73
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.73
PXM	4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL	A	1RFT	0.72
PXM	4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL	A,B	2Z9V	0.72
PXP	PYRIDOXINE-5'-PHOSPHATE	A,B,C,D	1HO4	0.71
PXP	PYRIDOXINE-5'-PHOSPHATE	A,B,C,D,E,F, G,H	3F4N	0.71
PXP	PYRIDOXINE-5'-PHOSPHATE	A,B,C,D	1SZR	0.71
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
DRP	2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE	A,B	1JES	0.76
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.73
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.7
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.7
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.7
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.79
PZZ	3-{3-[(DIMETHYLAMINO)METHYL]-1H- INDOL-7-YL}PROPAN-1-OL	A	2QHW	0.7
JI1	3-({(3S,4S)-4-[(6-aminopyridin- 2-yl)methyl]pyrrolidin-3-yl}amino)propan- 1-ol	A,B	3B3M	0.72
218	1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM	A	2HOP	0.73
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.73
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
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.83
ISQ	ISOQUINOLINE	A	1GDK	0.72
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.74
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AH0	0.74
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AGZ	0.74
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.73
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	0.74
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.74
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.74
PCH	3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN- 4-YLOXY)BUTAN-2-OL	I	1E82	0.72
PF7	4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid	A,B	2VYA	0.73
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.74
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.72
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.77
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.81
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.81
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.81
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.81
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.81
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.81
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.75
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.8
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.79
NIO	NICOTINIC ACID	A	1JHQ	0.71
NIO	NICOTINIC ACID	A	1L5L	0.71
NIO	NICOTINIC ACID	A	2F7F	0.71
NIO	NICOTINIC ACID	A	1L5K	0.71
NIO	NICOTINIC ACID	A	1JHY	0.71
NIO	NICOTINIC ACID	A,B	1FSL	0.71
NIO	NICOTINIC ACID	A	1L5M	0.71
NIO	NICOTINIC ACID	A	1LH6	0.71
NIO	NICOTINIC ACID	A	1JHO	0.71
NIO	NICOTINIC ACID	A	3CI8	0.71
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.71
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.71
NIO	NICOTINIC ACID	A	1JHA	0.71
NIO	NICOTINIC ACID	A	1JHV	0.71
NIO	NICOTINIC ACID	A	1L4N	0.71
NIO	NICOTINIC ACID	A	2LH6	0.71
NIO	NICOTINIC ACID	A	1D0V	0.71
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.71
NIO	NICOTINIC ACID	A,B	1ICR	0.71
NIO	NICOTINIC ACID	A	1JHR	0.71
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.76
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.76
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.74
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.75
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.71