SEQ2FUN

BioLiP

PDB CCD ID: UT2
Number of entries in BioLiP: 3
Chemical formula: C19 H17 N3 O7 S2
InChI: InChI=1S/C19H17N3O7S2/c1-28-14-6-3-12(4-7-14)21-31(26,27)17-11-13(5-8-15(17)29-2)20-19(23)16-9-10-18(30-16)22(24)25/h3-11,21H,1-2H3,(H,20,23)
InChIKey: DYOXCKGIGMXWNR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(N[S](=O)(=O)c2cc(NC(=O)c3sc(cc3)[N](=O)=O)ccc2OC)cc1
OpenEye OEToolkits 2.0.7COc1ccc(cc1)NS(=O)(=O)c2cc(ccc2OC)NC(=O)c3ccc(s3)N(=O)=O
Name:N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide;
~{N}-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide;
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide
ChEMBL: CHEMBL3431003
ZINC: ZINC000009662887
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).