MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02639864

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
BFU	1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6- FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)- CYCLOPROPYL]-UREA	A	1EET	0.71
2SM	methyl 2-{[(4-methylpyrimidin-2- yl)carbamoyl]sulfamoyl}benzoate	A	3EA4	0.71
C92	N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide	A,B	3CPB	0.73
24X		H,L	2EC9	0.79
G44	4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE	C,D	2PKS	0.77
FXV	METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE	A	1KSN	0.72
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.72
NIO	NICOTINIC ACID	A	1JHQ	0.77
NIO	NICOTINIC ACID	A	1L5L	0.77
NIO	NICOTINIC ACID	A	2F7F	0.77
NIO	NICOTINIC ACID	A	1L5K	0.77
NIO	NICOTINIC ACID	A	1JHY	0.77
NIO	NICOTINIC ACID	A,B	1FSL	0.77
NIO	NICOTINIC ACID	A	1L5M	0.77
NIO	NICOTINIC ACID	A	1LH6	0.77
NIO	NICOTINIC ACID	A	1JHO	0.77
NIO	NICOTINIC ACID	A	3CI8	0.77
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.77
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.77
NIO	NICOTINIC ACID	A	1JHA	0.77
NIO	NICOTINIC ACID	A	1JHV	0.77
NIO	NICOTINIC ACID	A	1L4N	0.77
NIO	NICOTINIC ACID	A	2LH6	0.77
NIO	NICOTINIC ACID	A	1D0V	0.77
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.77
NIO	NICOTINIC ACID	A,B	1ICR	0.77
NIO	NICOTINIC ACID	A	1JHR	0.77
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	0.74
D2G	N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDV	0.71
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.85
608	N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide	A,B	2P2I	0.72
7CS	(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE	A	2QHM	0.73
4PP		C,L	1XKA	0.7
4PP		A,B,C,D	1XKB	0.7
MYT	METYRAPONE	A	1PHG	0.75
MYT	METYRAPONE	A	1W0G	0.75
859	2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE	A,B	2NO3	0.75
368	(1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE	A	1ZLR	0.76
AXD	2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID	B	2I03	0.72
D3G	(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE	A,B,C,D	2FDW	0.7
DZF	5-DEAZAFOLIC ACID	A,B	2DHF	0.74
DZF	5-DEAZAFOLIC ACID	A,B	1DYH	0.74
DZF	5-DEAZAFOLIC ACID	A,B,C,D	1CDE	0.74