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Ligand · BBP

BBP · (5R)-3-tert-butyl-1-(6-chloro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyrazol-5-ol

BBP, (5R)-3-tert-butyl-1-(6-chloro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyrazol-5-ol (C14 H16 Cl N3 O S, 309.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
BBP
Formula
C14 H16 Cl N3 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BBP in 2 structures; the first of them:

  • 3HL8 · Crystal structure of exonuclease I in complex with inhibitor BCBP · BBP A501 · binds PRO228, TRP245, LEU264, ALA312, ASN313, PRO317, ARG327, CYS330 and 2 more
  • 3HL8 · Crystal structure of exonuclease I in complex with inhibitor bcbp · BBP A501 · binds PRO228, TRP245, LEU264, ALA312, ASN313, PRO317, ARG327, CYS330 and 2 more

Residues it binds most

LEU 2, PRO 2, ALA 2, ARG 2, ASN 2, CYS 2, TRP 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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