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Ligand · H1I

H1I · N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide

H1I, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide (C31 H30 N4 O4 S2, 586.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
H1I
Formula
C31 H30 N4 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

H1I in 2 structures; the first of them:

  • 3ZK6 · Crystal structure of Bcl-xL in complex with inhibitor (Compound 2). · H1I A1198 · binds PHE97, ARG102, PHE105, SER106, ASP107, LEU108, THR109, GLU129 and 16 more
  • 3ZK6 · Crystal structure of BCL-xl in complex with inhibitor (compound 2). · H1I A1198 · binds PHE97, ARG102, PHE105, SER106, ASP107, LEU108, THR109, GLU129 and 16 more

Residues it binds most

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

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