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BioLiP

PDB CCD ID: 9MA
Number of entries in BioLiP: 1
Chemical formula: C22 H19 F2 N3
InChI: InChI=1S/C22H19F2N3/c1-13-7-4-8-14(2)20(13)26-22-21(19-16(23)10-6-11-17(19)24)25-18-12-5-9-15(3)27(18)22/h4-12,26H,1-3H3
InChIKey: RBMQZHVGMQCJOU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(c3n1c(cccc1C)nc3c2c(F)cccc2F)c4c(C)cccc4C
OpenEye OEToolkits 2.0.6Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C
CACTVS 3.385Cc1cccc2nc(c(Nc3c(C)cccc3C)n12)c4c(F)cccc4F
Name:2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
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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