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BioLiP

PDB CCD ID: BR3
Number of entries in BioLiP: 1
Chemical formula: C11 H14 O3 P
InChI: InChI=1S/C11H15O3P/c1-8-2-5-11-9(6-8)3-4-10(14-11)7-15(12)13/h2,5-6,10,15H,3-4,7H2,1H3,(H,12,13)/p-1/t10-/m0/s1
InChIKey: QTHZTDVLJRQOGF-JTQLQIEISA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc2c(c1)CCC(O2)CP(=O)[O-]
CACTVS 3.341Cc1ccc2O[CH](CCc2c1)C[PH]([O-])=O
OpenEye OEToolkits 1.5.0Cc1ccc2c(c1)CC[C@H](O2)C[P@H](=O)[O-]
CACTVS 3.341Cc1ccc2O[C@@H](CCc2c1)C[PH]([O-])=O
ACDLabs 10.04[O-]P(=O)CC2Oc1ccc(cc1CC2)C
Name:(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE
DrugBank: DB07487
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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