SEQ2FUN

BioLiP

PDB CCD ID: BNJ
Number of entries in BioLiP: 1
Chemical formula: C14 H16 N2 O3 S2
InChI: InChI=1S/C14H16N2O3S2/c17-14-15-13(9-20-14)10-4-3-7-12(8-10)21(18,19)16-11-5-1-2-6-11/h3-4,7-9,11,16H,1-2,5-6H2,(H,15,17)
InChIKey: YNSRHWKJAMIAPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NC(=CS1)c2cccc(c2)[S](=O)(=O)NC3CCCC3
ACDLabs 12.01O=C3SC=C(c1cc(ccc1)S(=O)(=O)NC2CCCC2)N3
OpenEye OEToolkits 1.7.6c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3
Name:N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
ChEMBL: CHEMBL3409982
ZINC: ZINC000263621288
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).