BioLiP

PDB

BioLiP

PDB CCD ID:

YHS

Number of entries in BioLiP:

Chemical formula:

C16 H13 N5 O

InChI:

InChI=1S/C16H13N5O/c1-9-5-10(2)7-12(6-9)15-13-8-11(16-17-20-21-18-16)3-4-14(13)19-22-15/h3-8H,1-2H3,(H,17,18,20,21)

InChIKey:

PYDRHRMQZGFNTG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1cc(cc(C)c1)c1onc2ccc(cc12)c1nnn[NH]1
OpenEye OEToolkits 2.0.7	Cc1cc(cc(c1)c2c3cc(ccc3no2)c4[nH]nnn4)C
CACTVS 3.385	Cc1cc(C)cc(c1)c2onc3ccc(cc23)c4[nH]nnn4

Name:

(5P)-3-(3,5-dimethylphenyl)-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).