Ligand · N8J

N8J · (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

N8J, (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide (C27 H26 Cl2 N2 O4 S, 545.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: N8J
Formula: C27 H26 Cl2 N2 O4 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

N8J in 2 structures; the first of them:

6OVC · hMcl1 inhibitor complex · N8J A201 · binds HIS55, ALA58, MET62, LEU66, LEU77, VAL80, MET81, VAL84 and 4 more
6OVC · HMCL1 inhibitor complex · N8J A201 · binds HIS55, MET62, LEU66, VAL80, MET81, VAL84, ARG94, THR97 and 2 more

Residues it binds most

LEU 2, MET 2, VAL 2, ARG 2, HIS 2, PHE 2, THR 2, ALA 1 (residue and the binding sites it lines).

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