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BioLiP

PDB CCD ID: 8GE
Number of entries in BioLiP: 1
Chemical formula: C14 H12 N2 O2 S
InChI: InChI=1S/C14H12N2O2S/c15-19(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H,(H2,15,17,18)
InChIKey: FQMXYEJYLSYDSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cc([nH]2)c3ccc(cc3)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2
Name:4-(1~{H}-indol-2-yl)benzenesulfonamide
ChEMBL: CHEMBL3764340
ZINC: ZINC000653713005
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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