SEQ2FUN

BioLiP

PDB CCD ID: SUA
Number of entries in BioLiP: 2
Chemical formula: C13 H14 N2 O3 S3
InChI: InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17)
InChIKey: NXMUSVRWCFYOTJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N
ACDLabs 11.02O=S(=O)(N)c1ccc(cc1)NC(=S)OCCc2ccsc2
CACTVS 3.352N[S](=O)(=O)c1ccc(NC(=S)OCCc2cscc2)cc1
Name:(4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER;
Carbonic Anhydrase II inhibitor 16923
DrugBank: DB03333
ZINC: ZINC000038377569
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).