SEQ2FUN

BioLiP

PDB CCD ID: STX
Number of entries in BioLiP: 1
Chemical formula: C9 H15 N3 O2
InChI: InChI=1S/C9H15N3O2/c1-9(2,3)8-12-11-7(14-8)6(13)5-10-4/h10H,5H2,1-4H3
InChIKey: CLBJJWUUSJAAPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1nnc(o1)C(C)(C)C)CNC
OpenEye OEToolkits 1.5.0CC(C)(C)c1nnc(o1)C(=O)CNC
CACTVS 3.341CNCC(=O)c1oc(nn1)C(C)(C)C
Name:1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE;
2-SARCOSINYL-5-TERT-BUTYL-[1,3,4]-OXADIAZOLE
DrugBank: DB08576
ZINC: ZINC000016051638
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).