BioLiP

PDB

BioLiP

PDB CCD ID:

A1IBN

Number of entries in BioLiP:

Chemical formula:

C18 H22 N2 O2

InChI:

InChI=1S/C18H22N2O2/c1-5-13-9-16(10-14(6-2)18(13)22-4)20-19-15-8-7-12(3)17(21)11-15/h7-11,21H,5-6H2,1-4H3/b20-19-

InChIKey:

BEBLURJWHJAXSU-VXPUYCOJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1cc(cc(CC)c1OC)N=Nc2ccc(C)c(O)c2
OpenEye OEToolkits 2.0.7	CCc1cc(cc(c1OC)CC)/N=N\c2ccc(c(c2)O)C
OpenEye OEToolkits 2.0.7	CCc1cc(cc(c1OC)CC)N=Nc2ccc(c(c2)O)C

Name:

5-[(~{Z})-(3,5-diethyl-4-methoxy-phenyl)diazenyl]-2-methyl-phenol

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).