BioLiP

PDB

BioLiP

PDB CCD ID:

67K

Number of entries in BioLiP:

Chemical formula:

C11 H8 N2 O2

InChI:

InChI=1S/C11H8N2O2/c14-7-8-5-9(15)6-11(13-8)10-3-1-2-4-12-10/h1-7H,(H,13,15)

InChIKey:

FFOWHRKNAPHKGV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(C=O)nc(c1)c2ccccn2
ACDLabs 12.01	c2c(c1nc(C=O)cc(c1)O)nccc2
OpenEye OEToolkits 2.0.4	c1ccnc(c1)c2cc(cc(n2)C=O)O

Name:

4-hydroxy[2,2'-bipyridine]-6-carbaldehyde

ZINC:

ZINC000584904694

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).