SEQ2FUN

BioLiP

PDB CCD ID: W6V
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N2 O S
InChI: InChI=1S/C10H8N2OS/c13-9(8-4-2-1-3-5-8)12-10-11-6-7-14-10/h1-7H,(H,11,12,13)
InChIKey: SCQBDADQAVXTMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)Nc2nccs2
CACTVS 3.385O=C(Nc1sccn1)c2ccccc2
ACDLabs 12.01c2c(C(=O)Nc1nccs1)cccc2
Name:N-(1,3-thiazol-2-yl)benzamide
ChEMBL: CHEMBL90846
ZINC: ZINC000000039994
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).