Ligand · CDB

CDB · 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluoro-3-methyl-6-pyridinyl)methyl]acetamide

CDB, 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluoro-3-methyl-6-pyridinyl)methyl]acetamide (C21 H23 F3 N6 O2 +2, 448.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component: CDB
Formula: C21 H23 F3 N6 O2 +2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

CDB in 2 structures; the first of them:

1MU8 · thrombin-hirugen_l-378,650 · CDB B248 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
1MU8 · Thrombin-HIRUGEN_L-378,650 · CDB B248 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more

Residues it binds most

GLU 2, GLY 2, CYS 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, HIS 2, ILE 2 (residue and the binding sites it lines).

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