SEQ2FUN

BioLiP

PDB CCD ID: PAO
Number of entries in BioLiP: 23
Chemical formula: C7 H15 N2 O6 P
InChI: InChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/t5-/m0/s1
InChIKey: FCIHAQFHXJOLIF-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=O)CP(=O)(O)O
CACTVS 3.341N[C@@H](CCCNC(=O)C[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=C(NCCCC(C(=O)O)N)CP(=O)(O)O
Name:N-(PHOSPHONOACETYL)-L-ORNITHINE
ChEMBL: CHEMBL1160567
DrugBank: DB02011
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).