BioLiP

PDB

BioLiP

PDB CCD ID:

C65

Number of entries in BioLiP:

Chemical formula:

C15 H13 N3 O2

InChI:

InChI=1S/C15H13N3O2/c19-15(18-20)11-8-12-6-9-14(10-7-12)17-16-13-4-2-1-3-5-13/h1-11,20H,(H,18,19)/b11-8+,17-16+

InChIKey:

FBLBOLZQIKQUIK-USZUYCLASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C(=O)NO
ACDLabs 12.01	c1cccc(c1)\N=N\c2ccc(cc2)\C=C\C(NO)=O
OpenEye OEToolkits 1.7.6	c1ccc(cc1)N=Nc2ccc(cc2)C=CC(=O)NO
CACTVS 3.385	ONC(=O)C=Cc1ccc(cc1)N=Nc2ccccc2
CACTVS 3.385	ONC(=O)/C=C/c1ccc(cc1)N=Nc2ccccc2

Name:

(2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide

ZINC:

ZINC000584905532

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).