SEQ2FUN

BioLiP

PDB CCD ID: 280
Number of entries in BioLiP: 1
Chemical formula: C5 H6 N2 O
InChI: InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3
InChIKey: BNYKZFOZWZMEJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=Cc1cncn1C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cn1cncc1C=O
Name:1-methyl-1H-imidazole-5-carbaldehyde
ChEMBL: CHEMBL190795
ZINC: ZINC000000158990
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).