BioLiP

PDB

BioLiP

PDB CCD ID:

AZB

Number of entries in BioLiP:

Chemical formula:

C15 H16 N2 O

InChI:

InChI=1S/C15H16N2O/c1-11(2)12-3-5-13(6-4-12)16-17-14-7-9-15(18)10-8-14/h3-11,18H,1-2H3/b17-16+

InChIKey:

NQJVTPMZGHHWGR-WUKNDPDISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)c1ccc(cc1)N=Nc2ccc(cc2)O
CACTVS 3.370	CC(C)c1ccc(cc1)N=Nc2ccc(O)cc2
OpenEye OEToolkits 1.7.0	CC(C)c1ccc(cc1)/N=N/c2ccc(cc2)O
ACDLabs 12.01	N(=N/c1ccc(O)cc1)\c2ccc(cc2)C(C)C

Name:

4-{(E)-[4-(propan-2-yl)phenyl]diazenyl}phenol

ZINC:

ZINC000095921003

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).