BioLiP

PDB

BioLiP

PDB CCD ID:

HLF

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O2

InChI:

InChI=1S/C8H10N2O2/c1-2-3-5-10-6-4-9-7(10)8(11)12/h2,4,6H,1,3,5H2,(H,11,12)

InChIKey:

CCCXBVCIZGOYTQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1nccn1CCC=C
OpenEye OEToolkits 2.0.7	C=CCCn1ccnc1C(=O)O

Name:

1-but-3-enylimidazole-2-carboxylic acid

ChEMBL:

CHEMBL5200807

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).