BioLiP

PDB

BioLiP

PDB CCD ID:

UPQ

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O

InChI:

InChI=1S/C11H10N2O/c1-9-6-13(8-12-9)11-4-2-10(7-14)3-5-11/h2-8H,1H3

InChIKey:

PVVBFOHONHPONZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cn(cn1)c2ccc(C=O)cc2
OpenEye OEToolkits 2.0.7	Cc1cn(cn1)c2ccc(cc2)C=O

Name:

4-(4-methylimidazol-1-yl)benzaldehyde

ZINC:

ZINC000034441230

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).