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BioLiP

PDB CCD ID: D6Y
Number of entries in BioLiP: 2
Chemical formula: C11 H18 N2 O2
InChI: InChI=1S/C11H18N2O2/c1-10(2,3)9-4-8(13-15-9)5-11(12)6-14-7-11/h4H,5-7,12H2,1-3H3
InChIKey: VYXDDHGPKQWWIR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)(C)c1onc(CC2(N)COC2)c1
ACDLabs 12.01c1(onc(c1)CC2(N)COC2)C(C)(C)C
OpenEye OEToolkits 2.0.6CC(C)(C)c1cc(no1)CC2(COC2)N
Name:3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
ZINC: ZINC000070633542
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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