BioLiP

PDB

BioLiP

PDB CCD ID:

UON

Number of entries in BioLiP:

Chemical formula:

C15 H11 Cl N2 O2

InChI:

InChI=1S/C15H11ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(16)18(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3

InChIKey:

RGYSXOYXQMSTHS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl
CACTVS 3.385	COc1ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3

Name:

4-(2-chloranyl-5-methoxy-benzimidazol-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).