BioLiP

PDB

BioLiP

PDB CCD ID:

RF7

Number of entries in BioLiP:

Chemical formula:

C11 H16 N O5 P

InChI:

InChI=1S/C11H16NO5P/c1-12(14)11(13)7-10(8-18(15,16)17)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,15,16,17)/t10-/m0/s1

InChIKey:

RGWBBKVQKPJVGW-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O
CACTVS 3.385	CN(O)C(=O)C[CH](C[P](O)(O)=O)c1ccccc1
CACTVS 3.385	CN(O)C(=O)C[C@@H](C[P](O)(O)=O)c1ccccc1
OpenEye OEToolkits 1.9.2	CN(C(=O)CC(CP(=O)(O)O)c1ccccc1)O
ACDLabs 12.01	O=P(O)(O)CC(c1ccccc1)CC(=O)N(O)C

Name:

{(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid

ZINC:

ZINC000230570933

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).