BioLiP

PDB

BioLiP

PDB CCD ID:

PPH

Number of entries in BioLiP:

Chemical formula:

C8 H12 N O3 P

InChI:

InChI=1S/C8H12NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)/t8-/m1/s1

InChIKey:

FQCNOURLMNHAQN-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CC(N)P(=O)(O)O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C[C@H](N)P(=O)(O)O
CACTVS 3.370	N[CH](Cc1ccccc1)[P](O)(O)=O
CACTVS 3.370	N[C@@H](Cc1ccccc1)[P](O)(O)=O
ACDLabs 12.01	O=P(O)(O)C(N)Cc1ccccc1

Name:

[(1R)-1-amino-2-phenylethyl]phosphonic acid

ChEMBL:

CHEMBL40813

ZINC:

ZINC000003953934

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).