SEQ2FUN

BioLiP

PDB CCD ID: K1Y
Number of entries in BioLiP: 2
Chemical formula: C12 H12 N2 O2 S
InChI: InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15)
InChIKey: WVXKXRCDQRXTDH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1nc(c(s1)NC(=O)OC)c2ccccc2
ACDLabs 12.01n1c(C)sc(c1c2ccccc2)NC(OC)=O
CACTVS 3.385COC(=O)Nc1sc(C)nc1c2ccccc2
Name:methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
ChEMBL: CHEMBL1874922
ZINC: ZINC000000323795
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).