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BioLiP

PDB CCD ID: R77
Number of entries in BioLiP: 2
Chemical formula: C15 H24 N O5 P
InChI: InChI=1S/C15H24NO5P/c1-16(18)15(17)11-14(12-22(19,20)21)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-12H2,1H3,(H2,19,20,21)/t14-/m1/s1
InChIKey: FWCPRMVLUHPTMF-CQSZACIVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(O)C(=O)C[C@@H](CCCCc1ccccc1)C[P](O)(O)=O
OpenEye OEToolkits 1.9.2CN(C(=O)C[C@@H](CCCCc1ccccc1)CP(=O)(O)O)O
CACTVS 3.385CN(O)C(=O)C[CH](CCCCc1ccccc1)C[P](O)(O)=O
OpenEye OEToolkits 1.9.2CN(C(=O)CC(CCCCc1ccccc1)CP(=O)(O)O)O
ACDLabs 12.01O=P(O)(O)CC(CC(=O)N(O)C)CCCCc1ccccc1
Name:[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid
ZINC: ZINC000230570880
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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