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BioLiP

PDB CCD ID: BSB
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O3 S
InChI: InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
InChIKey: CZKNSZUJCJHTTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=S(=O)(N)c2ccc(C(=O)NCc1ccccc1)cc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N
CACTVS 3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2
Name:N-BENZYL-4-SULFAMOYL-BENZAMIDE
ChEMBL: CHEMBL302715
DrugBank: DB01748
ZINC: ZINC000000403946
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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