BioLiP

PDB

BioLiP

PDB CCD ID:

ZPH

Number of entries in BioLiP:

Chemical formula:

C15 H24 N O5 P

InChI:

InChI=1S/C15H24NO5P/c1-11(2)9-14(16)22(18,19)21-13(15(17)20-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,16H2,1-3H3,(H,18,19)/t13-,14+/m0/s1

InChIKey:

MZRFVGOVBKFRCQ-UONOGXRCSA-N

SMILES:

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

Name:

methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate;
LP(0)PHEOMe

ZINC:

ZINC000098209673

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).