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BioLiP Library

PDB CCD ID: BOQ
Number of entries in BioLiP: 1
Chemical formula: C12 H19 N O3
InChI: InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3
InChIKey: JXCNRNVAFQVPDO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOC(=O)c1cc(oc1CN)C(C)(C)C
Name:ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
ChEMBL: CHEMBL1584149
ZINC: ZINC000000032660
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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