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Ligand · HI0

HI0 · (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide

HI0, (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide (C43 H45 Cl N8 O4 S2, 837.5 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
HI0
Formula
C43 H45 Cl N8 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

HI0 in 2 structures; the first of them:

  • 3QKD · Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor · HI0 A218 · binds ALA93, GLU96, PHE97, ARG100, TYR101, ALA104, PHE105, LEU108 and 16 more
  • 3QKD · Crystal structure of BCL-xl in complex with a quinazoline sulfonamide inhibitor · HI0 A218 · binds ALA93, GLU96, PHE97, ARG100, TYR101, ALA104, PHE105, LEU108 and 16 more

Residues it binds most

PHE 4, ALA 4, ARG 4, GLU 4, LEU 4, TYR 4, VAL 4, ASN 4, GLY 4, SER 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol

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