SEQ2FUN

BioLiP

PDB CCD ID: PT0
Number of entries in BioLiP: 0
Chemical formula: C9 H20 N O4 P
InChI: InChI=1S/C9H20NO4P/c1-4-14-9(11)6-15(12,13)8(10)5-7(2)3/h7-8H,4-6,10H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKey: SJWYOBZTQADRCY-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCOC(=O)CP(=O)(C(CC(C)C)N)O
ACDLabs 12.01O=P(O)(C(N)CC(C)C)CC(=O)OCC
CACTVS 3.370CCOC(=O)C[P](O)(=O)[CH](N)CC(C)C
CACTVS 3.370CCOC(=O)C[P](O)(=O)[C@@H](N)CC(C)C
OpenEye OEToolkits 1.7.0CCOC(=O)C[P@](=O)([C@H](CC(C)C)N)O
Name:(R)-[(1R)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid
ZINC: ZINC000098209321

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).