SEQ2FUN

BioLiP

PDB CCD ID: 9TK
Number of entries in BioLiP: 0
Chemical formula: C5 H6 N2 O2
InChI: InChI=1S/C5H6N2O2/c1-7-3-2-6-4(7)5(8)9/h2-3H,1H3,(H,8,9)
InChIKey: WLDPWZQYAVZTTP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1ccnc1C(=O)O
CACTVS 3.385Cn1ccnc1C(O)=O
Name:1-methylimidazole-2-carboxylic acid
ChEMBL: CHEMBL5177183
ZINC: ZINC000019735770
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).