BioLiP

PDB

BioLiP

PDB CCD ID:

TLQ

Number of entries in BioLiP:

Chemical formula:

C20 H14 N2 O

InChI:

InChI=1S/C20H14N2O/c23-14-16-10-11-19(18-9-5-4-8-17(16)18)22-13-12-21-20(22)15-6-2-1-3-7-15/h1-14H

InChIKey:

JHRQNTBVKVZKLW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=Cc1ccc(n2ccnc2c3ccccc3)c4ccccc14
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2nccn2c3ccc(c4c3cccc4)C=O

Name:

4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde

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).