Ligand · KYM

KYM · (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4, 3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide

KYM, (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4, 3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide (C25 H21 N5 O4, 455.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component: KYM
Formula: C25 H21 N5 O4
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

KYM in 1 structure; the first of them:

6NRI · Crystal structure of human parp-1 art domain bound to inhibitor UTT83 · KYM A1101 · binds HIS862, GLY863, ARG865, ASN868, GLY888, TYR889, TYR896, PHE897 and 5 more

Residues it binds most

TYR 1, GLY 1, ALA 1, ARG 1, ASN 1, GLU 1, HIS 1, LYS 1, PHE 1, SER 1 (residue and the binding sites it lines).

Found with

CL · Chloride ion
CIT · Citric acid
DMS · Dimethyl sulfoxide

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