SEQ2FUN

BioLiP

PDB CCD ID: H0G
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O2
InChI: InChI=1S/C12H12N2O2/c1-9-3-2-4-10(7-9)8-12(15)13-11-5-6-16-14-11/h2-7H,8H2,1H3,(H,13,14,15)
InChIKey: AFEIJLUSZUKBHP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C(Cc1cccc(C)c1)=O)c2ccon2
CACTVS 3.385Cc1cccc(CC(=O)Nc2ccon2)c1
OpenEye OEToolkits 2.0.6Cc1cccc(c1)CC(=O)Nc2ccon2
Name:2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
ChEMBL: CHEMBL1535102
ZINC: ZINC000006726563
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).