BioLiP

PDB

BioLiP

PDB CCD ID:

HM0

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O2

InChI:

InChI=1S/C8H10N2O2/c11-8(12)7-9-4-5-10(7)6-2-1-3-6/h4-6H,1-3H2,(H,11,12)

InChIKey:

NZCLFPVXVQMPNV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cn(c(n1)C(=O)O)C2CCC2
CACTVS 3.385	OC(=O)c1nccn1C2CCC2

Name:

1-cyclobutylimidazole-2-carboxylic acid

ChEMBL:

CHEMBL5181819

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).