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BioLiP

PDB CCD ID: 2DL
Number of entries in BioLiP: 1
Chemical formula: C12 H17 N O3
InChI: InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3
InChIKey: BQJODPIMMWWMFC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CCN(CC)C(=O)c1ccc(c(c1)OC)O
CACTVS 3.352CCN(CC)C(=O)c1ccc(O)c(OC)c1
ACDLabs 10.04O=C(c1cc(OC)c(O)cc1)N(CC)CC
Name:2-METHYL-4-DIETHYLAMIDE-PHENOL
ChEMBL: CHEMBL1229908
DrugBank: DB08989
ZINC: ZINC000000000266
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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