SEQ2FUN

BioLiP

PDB CCD ID: UGV
Number of entries in BioLiP: 1
Chemical formula: C11 H9 Cl N2 O S
InChI: InChI=1S/C11H9ClN2OS/c12-10-4-3-9(16-10)6-11(15)14-8-2-1-5-13-7-8/h1-5,7H,6H2,(H,14,15)
InChIKey: VLAXFSPPTLAYDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl
CACTVS 3.385Clc1sc(CC(=O)Nc2cccnc2)cc1
ACDLabs 12.01n2cccc(NC(Cc1ccc(s1)Cl)=O)c2
Name:2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide
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).