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Ligand · BSI

BSI · 2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid

BSI, 2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (C22 H19 N O4 S, 393.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
BSI
Formula
C22 H19 N O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

BSI in 4 structures; the first of them:

  • 1BZS · Crystal structure of MMP8 complexed with HMR2909 · BSI A250 · binds GLY158, ILE159, LEU160, ALA161, HIS162, LEU193, VAL194, HIS197 and 10 more
  • 1I76 · Complex of 2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid… · BSI A1 · binds GLY158, ILE159, LEU160, ALA161, HIS162, LEU193, VAL194, HIS197 and 9 more
  • 1BZS · Crystal structure of MMP8 complexed with HMR2909 · BSI A250 · binds GLY158, ILE159, LEU160, ALA161, HIS162, LEU193, VAL194, HIS197 and 10 more
  • 1I76 · Complex of 2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3- carboxylic acid… · BSI A1 · binds GLY158, ILE159, LEU160, ALA161, HIS162, LEU193, VAL194, HIS197 and 9 more

Residues it binds most

HIS 4, LEU 4, ALA 4, TYR 4, ASN 4, GLU 4, GLY 4, ILE 4, PRO 4, VAL 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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