SEQ2FUN

BioLiP

PDB CCD ID: HKR
Number of entries in BioLiP: 2
Chemical formula: C7 H10 N2 O2
InChI: InChI=1S/C7H10N2O2/c1-2-4-9-5-3-8-6(9)7(10)11/h3,5H,2,4H2,1H3,(H,10,11)
InChIKey: UYQIJWNHWBWSBU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCn1ccnc1C(=O)O
CACTVS 3.385CCCn1ccnc1C(O)=O
Name:1-propylimidazole-2-carboxylic acid
ChEMBL: CHEMBL5193996
ZINC: ZINC000069900567
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).