SEQ2FUN

BioLiP

PDB CCD ID: O8G
Number of entries in BioLiP: 1
Chemical formula: C13 H14 N6 O2 S
InChI: InChI=1S/C13H14N6O2S/c14-18-15-8-11(20)19-5-3-9(4-6-19)13-16-12(17-21-13)10-2-1-7-22-10/h1-2,7,9H,3-6,8H2
InChIKey: RJFYHVFZGWNOBV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370[N-]=[N+]=NCC(=O)N1CCC(CC1)c2onc(n2)c3sccc3
OpenEye OEToolkits 1.7.0c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-]
ACDLabs 12.01[N-]=[N+]=N\CC(=O)N3CCC(c1onc(n1)c2sccc2)CC3
Name:1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine;
2-azido-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
ChEMBL: CHEMBL1234900
ZINC: ZINC000058631872
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).