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BioLiP

PDB CCD ID: 6YQ
Number of entries in BioLiP: 6
Chemical formula: C15 H12 Cl N3 O3 S
InChI: InChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
InChIKey: SWJLGRBJIPSPCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1Cl)C(=O)Cn2cnc3ccccc23
Name:4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide
ChEMBL: CHEMBL3798446
ZINC: ZINC000653854573
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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