BioLiP

PDB

BioLiP

PDB CCD ID:

YHW

Number of entries in BioLiP:

Chemical formula:

C14 H9 N5 O

InChI:

InChI=1S/C14H9N5O/c1-2-4-9(5-3-1)13-11-8-10(14-15-18-19-16-14)6-7-12(11)17-20-13/h1-8H,(H,15,16,18,19)

InChIKey:

QREZWQBEFHLIQN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[nH]1nnnc1c2ccc3noc(c4ccccc4)c3c2
ACDLabs 12.01	c1c(ccc2noc(c12)c1ccccc1)c1nnn[NH]1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2c3cc(ccc3no2)c4[nH]nnn4

Name:

(5P)-3-phenyl-5-(1H-tetrazol-5-yl)-2,1-benzoxazole

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).