Ligand · H9S

H9S · (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide

H9S, (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide (C32 H47 N5 O4 S, 597.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component: H9S
Formula: C32 H47 N5 O4 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

H9S in 2 structures; the first of them:

6XOQ · DCN1 covalently bound to inhibitor 4 · H9S A1301 · binds ILE1083, ILE1086, PHE1089, CYS1090, PRO1097, ALA1098, SER1099, VAL1102 and 15 more
6XOQ · DCN1 covalently bound to inhibitor 4 · H9S A1301 · binds ILE1086, PHE1089, PRO1097, ALA1098, SER1099, VAL1102, LEU1103, ALA1106 and 9 more

Residues it binds most

ALA 2, PHE 2, ILE 2, LEU 2, CYS 2, GLN 2, GLU 2, MET 2, PRO 2, SER 2 (residue and the binding sites it lines).

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