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BioLiP

PDB CCD ID: BOS
Number of entries in BioLiP: 1
Chemical formula: C13 H12 N2 O3 S2
InChI: InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
InChIKey: MRLVIVXGUGNENL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N)S
CACTVS 3.341N[S](=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
ACDLabs 10.04O=C(c1ccccc1S)Nc2ccc(cc2)S(=O)(=O)N
Name:N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE
ChEMBL: CHEMBL386049
DrugBank: DB07476
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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