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BioLiP

PDB CCD ID: ZPH
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)CC(N)P(=O)(O)OC(Cc1ccccc1)C(=O)OC
ACDLabs 12.01O=C(OC)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1
OpenEye OEToolkits 1.7.0CC(C)C[C@H](N)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC
CACTVS 3.370COC(=O)[CH](Cc1ccccc1)O[P](O)(=O)[CH](N)CC(C)C
CACTVS 3.370COC(=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, Peter L 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).

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