BioLiP

PDB

BioLiP

PDB CCD ID:

S6B

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl N2 O

InChI:

InChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2

InChIKey:

GOZGKDDBSIDBIJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCc1ccc(n2ccnc2)c(Cl)c1
OpenEye OEToolkits 2.0.7	c1cc(c(cc1CO)Cl)n2ccnc2

Name:

3-chloranyl-4-imidazol-1-yl-benzaldehyde

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).