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BioLiP

PDB CCD ID: KKL
Number of entries in BioLiP: 0
Chemical formula: C17 H12 N4 O2
InChI: InChI=1S/C17H12N4O2/c1-2-11-3-5-13(6-4-11)16-20-21-17(23-16)19-15(22)12-7-9-14(18)10-8-12/h1,3-10H,18H2,(H,19,21,22)
InChIKey: FIEDYLNUYGEAJG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cc(ccc1C(Nc3nnc(c2ccc(cc2)C#C)o3)=O)N
OpenEye OEToolkits 2.0.7C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N
CACTVS 3.385Nc1ccc(cc1)C(=O)Nc2oc(nn2)c3ccc(cc3)C#C
Name:4-amino-N-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
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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