BioLiP

PDB

BioLiP

PDB CCD ID:

YI8

Number of entries in BioLiP:

Chemical formula:

C15 H8 F3 N5 O

InChI:

InChI=1S/C15H8F3N5O/c16-15(17,18)10-4-1-8(2-5-10)13-11-7-9(14-19-22-23-20-14)3-6-12(11)21-24-13/h1-7H,(H,19,20,22,23)

InChIKey:

JAPDOBATQZBKTD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	FC(F)(F)c1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1
CACTVS 3.385	FC(F)(F)c1ccc(cc1)c2onc3ccc(cc23)c4[nH]nnn4
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2c3cc(ccc3no2)c4[nH]nnn4)C(F)(F)F

Name:

(5M)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-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).