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BioLiP

PDB CCD ID: QTD
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N O3 S
InChI: InChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKey: JVMQLNXAPHLKDV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N
ACDLabs 12.01c2(Oc1ccc(S(N)(=O)=O)cc1)ccccc2
CACTVS 3.385N[S](=O)(=O)c1ccc(Oc2ccccc2)cc1
Name:4-phenoxybenzene-1-sulfonamide
ChEMBL: CHEMBL4641882
ZINC: ZINC000000366440
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)(download the PDF file).
  • 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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