BioLiP

PDB

BioLiP

PDB CCD ID:

EV7

Number of entries in BioLiP:

Chemical formula:

C20 H14 N2 O3

InChI:

InChI=1S/C20H14N2O3/c23-20(24)18-10-15(16-11-21-22-12-16)6-8-19(18)25-17-7-5-13-3-1-2-4-14(13)9-17/h1-12H,(H,21,22)(H,23,24)

InChIKey:

CKJXZYIEHQOLFR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4
ACDLabs 12.01	c1cc(cc(C(O)=O)c1Oc2ccc3ccccc3c2)c4cnnc4
CACTVS 3.385	OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4

Name:

2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-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).