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BioLiP

PDB CCD ID: 2P0
Number of entries in BioLiP: 6
Chemical formula: C7 H13 N O10 P2
InChI: InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/t5-/m0/s1
InChIKey: JFTJDUMMWOSHFL-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)[C@@H]1CCCN1C(=O)CO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.0C1CC(N(C1)C(=O)COP(=O)(O)OP(=O)(O)O)C(=O)O
ACDLabs 12.01O=C(N1C(C(=O)O)CCC1)COP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.7.0C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O
CACTVS 3.370OC(=O)[CH]1CCCN1C(=O)CO[P](O)(=O)O[P](O)(O)=O
Name:1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline;
diphosphoglycolylproline
ChEMBL: CHEMBL1160294
ZINC: ZINC000095539351
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)(download the PDF file).
  • 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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