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BioLiP

PDB CCD ID: 1UK
Number of entries in BioLiP: 1
Chemical formula: C15 H12 F3 N5 O
InChI: InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)
InChIKey: TVUPSIBSWDXJGQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F
CACTVS 3.370CC(=O)Nc1cn2cc(ccc2n1)c3cnc(N)c(c3)C(F)(F)F
ACDLabs 12.01FC(F)(F)c3cc(c1ccc2nc(cn2c1)NC(=O)C)cnc3N
Name:N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide
ChEMBL: CHEMBL2418954
ZINC: ZINC000095920958
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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