BioLiP

PDB

BioLiP

PDB CCD ID:

RD2

Number of entries in BioLiP:

Chemical formula:

C11 H12 O7 P2

InChI:

InChI=1S/C11H12O7P2/c12-10-4-3-7-5-9(2-1-8(7)6-10)11(19(13,14)15)20(16,17)18/h1-6,11-12H,(H2,13,14,15)(H2,16,17,18)

InChIKey:

KBQHMDQNDJAVLF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O
ACDLabs 12.01	Oc1ccc2c(c1)ccc(C(P(O)(O)=O)P(O)(=O)O)c2
OpenEye OEToolkits 2.0.6	c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O

Name:

[(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)

ChEMBL:

CHEMBL4302496

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).