SEQ2FUN

BioLiP

PDB CCD ID: 6EX
Number of entries in BioLiP: 2
Chemical formula: C5 H6 N2 O
InChI: InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
InChIKey: VIHYIVKEECZGOU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.4		CC(=O)n1ccnc1
ACDLabs 12.01CC(n1cncc1)=O
Name:1-(1H-imidazol-1-yl)ethan-1-one
ChEMBL: CHEMBL1592087
ZINC: ZINC000000388370
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).