BioLiP

PDB

BioLiP

PDB CCD ID:

P5D

Number of entries in BioLiP:

Chemical formula:

C13 H18 N O6 P

InChI:

InChI=1S/C13H18NO6P/c14-11(6-9-4-2-1-3-5-9)21(19,20)8-10(13(17)18)7-12(15)16/h1-5,10-11H,6-8,14H2,(H,15,16)(H,17,18)(H,19,20)/t10-,11+/m0/s1

InChIKey:

HUMGCALEJILOSC-WDEREUQCSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](Cc1ccccc1)[P](O)(=O)C[CH](CC(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccccc1
OpenEye OEToolkits 1.7.2	c1ccc(cc1)CC(N)P(=O)(CC(CC(=O)O)C(=O)O)O
CACTVS 3.370	N[C@@H](Cc1ccccc1)[P](O)(=O)C[C@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.2	c1ccc(cc1)C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O

Name:

(2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid;
L-PHE-D-ASP PHOSPHINATE PSEUDODIPEPTIDE

ZINC:

ZINC000066167059

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).