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BioLiP

PDB CCD ID: RF1
Number of entries in BioLiP: 1
Chemical formula: C16 H21 N3 O3 S
InChI: InChI=1S/C16H21N3O3S/c1-16(2,3)21-15(20)19-8-6-11(7-9-19)14-17-13(18-22-14)12-5-4-10-23-12/h4-5,10-11H,6-9H2,1-3H3
InChIKey: METBQPRXNZHZMB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)c3sccc3
ACDLabs 10.04O=C(OC(C)(C)C)N3CCC(c1onc(n1)c2sccc2)CC3
OpenEye OEToolkits 1.5.0CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3cccs3
Name:tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
DrugBank: DB08469
ZINC: ZINC000053683175
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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