SEQ2FUN

BioLiP

PDB CCD ID: P6E
Number of entries in BioLiP: 6
Chemical formula: C20 H17 Cl N2 O4 S
InChI: InChI=1S/C20H17ClN2O4S/c21-15-7-4-8-17(12-15)27-18-10-9-16(13-19(18)28(22,25)26)23-20(24)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,24)(H2,22,25,26)
InChIKey: CSJYMAFXYMYNCK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc3cccc(Cl)c3
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl
Name:N-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-ethanamide
ChEMBL: CHEMBL4521594
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).