BioLiP

PDB

BioLiP

PDB CCD ID:

RF1

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.341	CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)c3sccc3
ACDLabs 10.04	O=C(OC(C)(C)C)N3CCC(c1onc(n1)c2sccc2)CC3
OpenEye OEToolkits 1.5.0	CC(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, Lydia 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).