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BioLiP

PDB CCD ID: OX6
Number of entries in BioLiP: 1
Chemical formula: C11 H19 N3 O3
InChI: InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1
InChIKey: PARUDDGQWSBIIO-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C(c1nnco1)NC(=O)OC(C)(C)C
CACTVS 3.341CC(C)[CH](NC(=O)OC(C)(C)C)c1ocnn1
ACDLabs 10.04O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
OpenEye OEToolkits 1.5.0CC(C)[C@H](c1nnco1)NC(=O)OC(C)(C)C
CACTVS 3.341CC(C)[C@@H](NC(=O)OC(C)(C)C)c1ocnn1
Name:TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
DrugBank: DB08336
ZINC: ZINC000053683093
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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