MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01684817

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
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.71
CNQ	3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE	A,B,C,D	1WOK	0.7
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.74
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.74
FXV	METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE	A	1KSN	0.73
4PP		C,L	1XKA	0.71
4PP		A,B,C,D	1XKB	0.71
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.72
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.71
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.72
BMS		A,B	1DKF	0.72
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	0.71
MYT	METYRAPONE	A	1PHG	0.71
MYT	METYRAPONE	A	1W0G	0.71
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.7
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.7
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.73
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.7
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.7
IHZ	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide	A	3DKO	0.73
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	0.79
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.84
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.84
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.84
BRF		A	1UUO	0.71
NIO	NICOTINIC ACID	A	1JHQ	0.76
NIO	NICOTINIC ACID	A	1L5L	0.76
NIO	NICOTINIC ACID	A	2F7F	0.76
NIO	NICOTINIC ACID	A	1L5K	0.76
NIO	NICOTINIC ACID	A	1JHY	0.76
NIO	NICOTINIC ACID	A,B	1FSL	0.76
NIO	NICOTINIC ACID	A	1L5M	0.76
NIO	NICOTINIC ACID	A	1LH6	0.76
NIO	NICOTINIC ACID	A	1JHO	0.76
NIO	NICOTINIC ACID	A	3CI8	0.76
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.76
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.76
NIO	NICOTINIC ACID	A	1JHA	0.76
NIO	NICOTINIC ACID	A	1JHV	0.76
NIO	NICOTINIC ACID	A	1L4N	0.76
NIO	NICOTINIC ACID	A	2LH6	0.76
NIO	NICOTINIC ACID	A	1D0V	0.76
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.76
NIO	NICOTINIC ACID	A,B	1ICR	0.76
NIO	NICOTINIC ACID	A	1JHR	0.76