SEQ2FUN

BioLiP

PDB CCD ID: UR4
Number of entries in BioLiP: 2
Chemical formula: C12 H12 N2 O2 S
InChI: InChI=1S/C12H12N2O2S/c1-16-7-11(15)14-12-13-10(8-17-12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKey: ZSDPCJILFHMGQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COCC(=O)Nc1scc(n1)c2ccccc2
OpenEye OEToolkits 2.0.7COCC(=O)Nc1nc(cs1)c2ccccc2
ACDLabs 12.01n1c(csc1NC(COC)=O)c2ccccc2
Name:2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
ZINC: ZINC000000355189
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).