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BioLiP

PDB CCD ID: AB4
Number of entries in BioLiP: 2
Chemical formula: C22 H15 Cl2 N O4 S
InChI: InChI=1S/C22H15Cl2NO4S/c23-14-6-8-18(24)21(11-14)30(28,29)25-15-7-10-19(26)17(12-15)22-16-4-2-1-3-13(16)5-9-20(22)27/h1-12,25-27H
InChIKey: KDKVLAFZMJRTEA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc(N[S](=O)(=O)c2cc(Cl)ccc2Cl)cc1c3c(O)ccc4ccccc34
OpenEye OEToolkits 1.5.0c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cc(ccc4Cl)Cl)O
ACDLabs 10.04O=S(=O)(c1cc(Cl)ccc1Cl)Nc4cc(c3c2ccccc2ccc3O)c(O)cc4
Name:2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE
ChEMBL: CHEMBL371915
ZINC: ZINC000001213187
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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