BioLiP

PDB

BioLiP

PDB CCD ID:

EWJ

Number of entries in BioLiP:

Chemical formula:

C20 H13 F N2 O3

InChI:

InChI=1S/C20H13FN2O3/c21-19-17(11-22-23-19)14-6-8-18(16(10-14)20(24)25)26-15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,22,23)(H,24,25)

InChIKey:

DLVKEINOBWQQLX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F
CACTVS 3.385	OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4F
ACDLabs 12.01	c3cccc4cc(Oc1ccc(cc1C(O)=O)c2cnnc2F)ccc34

Name:

5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid

ChEMBL:

CHEMBL4218738

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).