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BioLiP Library

PDB CCD ID: DCV
Number of entries in BioLiP: 2
Chemical formula: C11 H14 Cl2 N O5 P
InChI: InChI=1S/C11H14Cl2NO5P/c1-7(15)14(16)5-4-11(20(17,18)19)8-2-3-9(12)10(13)6-8/h2-3,6,11,16H,4-5H2,1H3,(H2,17,18,19)/t11-/m1/s1
InChIKey: ABGCTQYLJZGMBM-LLVKDONJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)N(CCC(c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O
OpenEye OEToolkits 1.7.0CC(=O)N(CC[C@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O
ACDLabs 12.01Clc1ccc(cc1Cl)C(CCN(O)C(=O)C)P(=O)(O)O
CACTVS 3.370CC(=O)N(O)CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O
CACTVS 3.370CC(=O)N(O)CC[C@H](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O
Name:[(1R)-3-[acetyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid
ChEMBL: CHEMBL1651836
ZINC: ZINC000028572274
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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