BioLiP

PDB

BioLiP

PDB CCD ID:

FBK

Number of entries in BioLiP:

Chemical formula:

C18 H13 N O3

InChI:

InChI=1S/C18H13NO3/c20-15-7-2-5-13(11-15)17-9-3-8-16(19-17)12-4-1-6-14(10-12)18(21)22/h1-11,20H,(H,21,22)

InChIKey:

RGVPEEGFSSWQPL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cccc(c1)c2cccc(n2)c3cccc(c3)C(O)=O
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C(=O)O)c2cccc(n2)c3cccc(c3)O

Name:

3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid

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).