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BioLiP

PDB CCD ID: PSQ
Number of entries in BioLiP: 3
Chemical formula: C5 H15 N4 O6 P S
InChI: InChI=1S/C5H15N4O6PS/c6-4(5(10)11)2-1-3-8-16(7,12)9-17(13,14)15/h4H,1-3,6H2,(H,10,11)(H,13,14,15)(H4,7,8,9,12)/t4-,16+/m0/s1
InChIKey: MDGVOXPIIICZEK-FOIQGAMDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNP(=O)(N)NS(=O)(=O)O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O
CACTVS 3.341N[C@@H](CCCN[P@@](N)(=O)N[S](O)(=O)=O)C(O)=O
CACTVS 3.341N[CH](CCCN[P](N)(=O)N[S](O)(=O)=O)C(O)=O
ACDLabs 10.04O=P(NCCCC(C(=O)O)N)(NS(=O)(=O)O)N
Name:NDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE
DrugBank: DB02965
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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