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BioLiP

PDB CCD ID: WWZ
Number of entries in BioLiP: 4
Chemical formula: C13 H12 F N3 O3 S
InChI: InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKey: YJQZNWPYLCNRLP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[S](=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
ACDLabs 12.01O=S(=O)(N)c2ccc(NC(=O)Nc1ccc(F)cc1)cc2
OpenEye OEToolkits 1.7.0c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F
Name:4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide
ChEMBL: CHEMBL1615281
ZINC: ZINC000001752601
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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