GL1X · GenesisL1 explorer

Ligand · C3V

C3V · 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one

C3V, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one (C22 H20 F2 N4 O S, 426.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
C3V
Formula
C22 H20 F2 N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

C3V in 2 structures; the first of them:

  • 6AY5 · CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-y… · C3V A1201 · binds PRO1106, LEU1109, PRO1110, PHE1111, VAL1115, LEU1120, ILE1122, TYR1125 and 6 more
  • 6AY5 · Crebbp bromodomain in complex with CPD17 (5-(7-(difluoromethyl)-6-(1… · C3V A1201 · binds PRO1106, LEU1109, PRO1110, VAL1115, LEU1120, ILE1122, TYR1125, TYR1167 and 4 more

Residues it binds most

LEU 2, PRO 2, TYR 2, VAL 2, PHE 2, ARG 2, ASN 2, ILE 2, ALA 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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