Ligand · C91

C91 · N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide

C91, N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide (C24 H18 N4 O, 378.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component: C91
Formula: C24 H18 N4 O
Class: ligand
Structures: 6
PDB entries: 3

Binding sites

C91 in 6 structures; the first of them:

4MY9 · Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion… · C91 A501 · binds ALA253, HIS254, SER257, THR310, MET391, GLY392, MET397, LEU413 and 7 more
4MZ8 · Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with an Internal… · C91 A502 · binds SER245, ALA246, HIS247, SER250, THR303, MET384, GLY385, MET390 and 8 more
4Q32 · Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens… · C91 A402 · binds THR123, ALA124, HIS125, SER128, THR181, MET262, GLY263, MET268 and 8 more
4MY9 · Crystal structure of the inosine 5'-monophosphate dehydrogenase with an internal deletion… · C91 A501 · binds ALA253, HIS254, SER257, THR310, MET391, GLY392, MET397, LEU413 and 7 more
4MZ8 · Crystal structure of the inosine 5'-monophosphate dehydrogenase, with an internal… · C91 A502 · binds SER245, ALA246, HIS247, SER250, THR303, MET384, GLY385, MET390 and 8 more
4Q32 · Crystal structure of inosine 5'-monophosphate dehydrogenase from clostridium perfringens… · C91 A402 · binds THR123, ALA124, HIS125, SER128, THR181, MET262, GLY263, MET268 and 8 more

Residues it binds most

MET 32, SER 32, GLY 32, ALA 32, LEU 30, THR 32, GLU 32, HIS 32, PRO 28, TYR 28 (residue and the binding sites it lines).

Found with

IMP · Inosinic acid
2F2 · dimethyl ether
CL · Chloride ion
SO4 · Sulfate ion
ACY · Acetic acid
EDO · 1,2-ethanediol
FMT · Formic acid
GOL · Glycerol
MLI · Malonate ion

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