BioLiP

PDB

BioLiP

PDB CCD ID:

3X3

Number of entries in BioLiP:

Chemical formula:

C18 H14 N4 O2

InChI:

InChI=1S/C18H14N4O2/c1-2-7-14(8-3-1)22-20-18(19-21-22)16-10-4-5-11-17(16)24-13-15-9-6-12-23-15/h1-12H,13H2

InChIKey:

SEBHGPQMDPTLAQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C(Oc1ccccc1c2nnn(n2)c3ccccc3)c4occc4
ACDLabs 12.01	O(c3c(c1nn(nn1)c2ccccc2)cccc3)Cc4occc4
OpenEye OEToolkits 1.9.2	c1ccc(cc1)n2nc(nn2)c3ccccc3OCc4ccco4

Name:

5-[2-(FURAN-2-YLMETHOXY)PHENYL]-2-PHENYLTETRAZOLE

ZINC:

ZINC000000386626

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).