Ligand · D7B

D7B · (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1, 2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone

D7B, (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1, 2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone (C26 H31 N3 O2, 417.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component: D7B
Formula: C26 H31 N3 O2
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

D7B in 1 structure; the first of them:

6FFG · Human BRD2 C-terminal bromodomain with (S)-1-(2-cyclopropyl-4-(2… · D7B A503 · binds TRP370, PRO371, VAL376, LEU381, LEU383, TYR386, CYS425, TYR428 and 4 more

Residues it binds most

LEU 1, TYR 1, VAL 1, ASN 1, CYS 1, HIS 1, MET 1, PRO 1, TRP 1 (residue and the binding sites it lines).

Found with

EDO · 1,2-ethanediol
MES · 2-(N-morpholino)-ethanesulfonic acid
PEG · Di(hydroxyethyl)ether

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