BioLiP

PDB

BioLiP

PDB CCD ID:

00H

Number of entries in BioLiP:

Chemical formula:

C11 H16 N O4 P

InChI:

InChI=1S/C11H16NO4P/c12-10(8-9-4-2-1-3-5-9)17(15,16)7-6-11(13)14/h1-5,10H,6-8,12H2,(H,13,14)(H,15,16)/t10-/m1/s1

InChIKey:

CZMVVDBXWOZCRC-SNVBAGLBSA-N

SMILES:

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

Name:

3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid

ZINC:

ZINC000098207722

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).