BioLiP

PDB

BioLiP

PDB CCD ID:

AZW

Number of entries in BioLiP:

Chemical formula:

C14 H15 N2 O5 P

InChI:

InChI=1S/C14H15N2O5P/c17-9-11-1-5-13(6-2-11)15-16-14-7-3-12(4-8-14)10-21-22(18,19)20/h1-8,17H,9-10H2,(H2,18,19,20)/b16-15+

InChIKey:

VKJQDDQQGBKCEZ-FOCLMDBBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	P(O)(OCc1ccc(cc1)\N=N\c2ccc(cc2)CO)(O)=O
OpenEye OEToolkits 1.7.6	c1cc(ccc1CO)/N=N/c2ccc(cc2)COP(=O)(O)O
CACTVS 3.385	OCc1ccc(cc1)N=Nc2ccc(CO[P](O)(O)=O)cc2
OpenEye OEToolkits 1.7.6	c1cc(ccc1CO)N=Nc2ccc(cc2)COP(=O)(O)O

Name:

4-{(E)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate

ZINC:

ZINC000263621126

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).