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BioLiP

PDB CCD ID: LYV
Number of entries in BioLiP: 0
Chemical formula: C9 H19 N4 O8 P
InChI: InChI=1S/C9H19N4O8P/c10-5(9(16)17)1-2-12-7(14)3-13-8(15)6(11)4-21-22(18,19)20/h5-6H,1-4,10-11H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)/t5-,6-/m0/s1
InChIKey: OAHBGBOPVNAMDO-WDSKDSINSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CNC(=O)CNC(=O)C(COP(=O)(O)O)N)C(C(=O)O)N
OpenEye OEToolkits 1.7.6C(CNC(=O)CNC(=O)[C@H](COP(=O)(O)O)N)[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCNC(=O)CNC(=O)[CH](N)CO[P](O)(O)=O)C(O)=O
ACDLabs 12.01O=P(OCC(C(=O)NCC(=O)NCCC(C(=O)O)N)N)(O)O
CACTVS 3.385N[C@@H](CCNC(=O)CNC(=O)[C@@H](N)CO[P](O)(O)=O)C(O)=O
Name:O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide
ZINC: ZINC000263620823
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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