BioLiP

PDB

BioLiP

PDB CCD ID:

338

Number of entries in BioLiP:

Chemical formula:

C17 H11 N O3

InChI:

InChI=1S/C17H11NO3/c19-10-7-8-14-16(9-10)21-17(18-14)13-5-1-4-12-11(13)3-2-6-15(12)20/h1-9,19-20H

InChIKey:

JHOZVRGNIYFYHE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Oc1ccc2nc(oc2c1)c3cccc4c(O)cccc34
ACDLabs 10.04	n1c4ccc(O)cc4oc1c3c2cccc(O)c2ccc3
OpenEye OEToolkits 1.5.0	c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O

Name:

2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL

ChEMBL:

CHEMBL185918

DrugBank:

DB07009

ZINC:

ZINC000003817711

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).