BioLiP

PDB

BioLiP

PDB CCD ID:

HQR

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O2

InChI:

InChI=1S/C9H12N2O2/c1-3-4-5-11-6-7(2)10-8(11)9(12)13/h3,6H,1,4-5H2,2H3,(H,12,13)

InChIKey:

SPRYXRMJQASWIM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cn(CCC=C)c(n1)C(O)=O
OpenEye OEToolkits 2.0.7	Cc1cn(c(n1)C(=O)O)CCC=C

Name:

1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid

ChEMBL:

CHEMBL5187384

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).