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BioLiP

PDB CCD ID: PVA
Number of entries in BioLiP: 0
Chemical formula: C4 H12 N O3 P
InChI: InChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/t4-/m1/s1
InChIKey: DGSLPJDIFKVSIB-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C(N)P(=O)(O)O
OpenEye OEToolkits 1.5.0CC(C)[C@H](N)P(=O)(O)O
ACDLabs 10.04O=P(O)(O)C(N)C(C)C
CACTVS 3.341CC(C)[CH](N)[P](O)(O)=O
CACTVS 3.341CC(C)[C@H](N)[P](O)(O)=O
Name:1-AMINO-2-METHYL-PROPYLPHOSPHONIC ACID
ZINC: ZINC000002569589
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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