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BioLiP

PDB CCD ID: INV
Number of entries in BioLiP: 2
Chemical formula: C14 H13 F N2 O3 S
InChI: InChI=1S/C14H13FN2O3S/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKey: IXDVPACDZDRCTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)cc2
ACDLabs 10.04Fc1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N
OpenEye OEToolkits 1.5.0c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F
Name:4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE
DrugBank: DB02429
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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