Ligand · CW8

CW8 · (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile

CW8, (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile (C13 H20 F N3 O, 253.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5…

Component: CW8
Formula: C13 H20 F N3 O
Class: ligand
Structures: 2
PDB entries: 2

Binding sites

CW8 in 2 structures; the first of them:

7SVN · DPP9 IN COMPLEX WITH LIGAND ICeD-1 · CW8 A901 · binds ARG133, GLU248, GLU249, HIS500, TYR644, GLN648, VAL649, SER730 and 8 more
7SVO · DPP8 IN COMPLEX WITH LIGAND ICeD-1 · CW8 A901 · binds ARG160, GLU275, GLU276, TYR669, GLN673, VAL674, SER755, TYR756 and 7 more

Residues it binds most

TYR 7, VAL 7, GLU 7, HIS 7, ARG 7, ASN 7, GLN 7, SER 7, TRP 6, PRO 2 (residue and the binding sites it lines).

Found with

TMO · trimethylamine oxide

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