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BioLiP

PDB CCD ID: VNG
Number of entries in BioLiP: 1
Chemical formula: C15 H12 N4 O2 S
InChI: InChI=1S/C15H12N4O2S/c20-15(9-1-2-9)18-13-7-10(5-6-16-13)11-3-4-12(22-11)14-17-8-21-19-14/h3-9H,1-2H2,(H,16,18,20)
InChIKey: MRPLZYZSVZVELT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Nc1cc(ccn1)c2sc(cc2)c3nocn3)C4CC4
OpenEye OEToolkits 2.0.7c1cc(sc1c2ccnc(c2)NC(=O)C3CC3)c4ncon4
Name:N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide
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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