BioLiP

PDB

BioLiP

PDB CCD ID:

N26

Number of entries in BioLiP:

Chemical formula:

C10 H10 O8 P2

InChI:

InChI=1S/C10H10O8P2/c11-19(12,13)17-9-3-1-7-5-10(18-20(14,15)16)4-2-8(7)6-9/h1-6H,(H2,11,12,13)(H2,14,15,16)

InChIKey:

WNOOOUFEMHHAIT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[P](O)(=O)Oc1ccc2cc(O[P](O)(O)=O)ccc2c1
ACDLabs 12.01	O(P(O)(O)=O)c2cc1ccc(cc1cc2)OP(O)(=O)O
OpenEye OEToolkits 2.0.6	c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O

Name:

naphthalene-2,6-diyl bis[dihydrogen (phosphate)]

ChEMBL:

CHEMBL4302816

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).