BioLiP

PDB

BioLiP

PDB CCD ID:

A1C2U

Number of entries in BioLiP:

Chemical formula:

C8 H6 N2 O

InChI:

InChI=1S/C8H6N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-5H,(H,9,10)

InChIKey:

ALCHVVTYAHQOFY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=Cc1ccc2[nH]cnc2c1
ACDLabs 14.52	O=Cc1cc2nc[NH]c2cc1
OpenEye OEToolkits 3.1.0.0	c1cc2c(cc1C=O)nc[nH]2

Name:

1H-1,3-benzimidazole-5-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).