BioLiP

PDB

BioLiP

PDB CCD ID:

60N

Number of entries in BioLiP:

Chemical formula:

C7 H8 N O6 P

InChI:

InChI=1S/C7H8NO6P/c9-6(10)4-2-1-3-5(8-4)7(11)15(12,13)14/h1-3,7,11H,(H,9,10)(H2,12,13,14)/t7-/m0/s1

InChIKey:

BMLFSBIYIPWZDN-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1cc(nc(c1)C(=O)O)[C@@H](O)P(=O)(O)O
OpenEye OEToolkits 2.0.4	c1cc(nc(c1)C(=O)O)C(O)P(=O)(O)O
CACTVS 3.385	O[CH](c1cccc(n1)C(O)=O)[P](O)(O)=O
CACTVS 3.385	O[C@H](c1cccc(n1)C(O)=O)[P](O)(O)=O

Name:

6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid

ZINC:

ZINC000584905155

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).