BioLiP

PDB

BioLiP

PDB CCD ID:

NSL

Number of entries in BioLiP:

Chemical formula:

C12 H10 N2 O

InChI:

InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+

InChIKey:

BEYOBVMPDRKTNR-BUHFOSPRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)/N=N/c2ccc(cc2)O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N=Nc2ccc(cc2)O
ACDLabs 12.01	c1ccc(cc1)\N=N\c2ccc(O)cc2
CACTVS 3.385	Oc1ccc(cc1)N=Nc2ccccc2

Name:

4-Hydroxyazobenzene;
4-[(E)-phenyldiazenyl]phenol

ChEMBL:

CHEMBL79759

ZINC:

ZINC000100010406

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).