SEQ2FUN

BioLiP

PDB CCD ID: L3A
Number of entries in BioLiP: 3
Chemical formula: C9 H20 N O4 P
InChI: InChI=1S/C9H20NO4P/c1-6(2)4-8(10)15(13,14)5-7(3)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t7-,8+/m0/s1
InChIKey: PYHFMEIRRPJIRC-JGVFFNPUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(C)CC(N)P(=O)(CC(C)C(=O)O)O
OpenEye OEToolkits 1.7.2C[C@@H](CP(=O)([C@H](CC(C)C)N)O)C(=O)O
CACTVS 3.370CC(C)C[CH](N)[P](O)(=O)C[CH](C)C(O)=O
ACDLabs 12.01O=P(O)(C(N)CC(C)C)CC(C(=O)O)C
CACTVS 3.370CC(C)C[C@H](N)[P](O)(=O)C[C@H](C)C(O)=O
Name:(2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid;
L-LEU-D-ALA PHOSPHINATE PSEUDODIPEPTIDE
ZINC: ZINC000025109495
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).