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BioLiP

PDB CCD ID: RKQ
Number of entries in BioLiP: 1
Chemical formula: C20 H20 N6 O
InChI: InChI=1S/C20H20N6O/c1-13-23-17-8-7-16(14-11-18(21)25-19(22)12-14)24-20(17)26(13)9-10-27-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H4,21,22,25)
InChIKey: XQMMPFLQOCIGRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N
CACTVS 3.385Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(N)nc(N)c4
Name:4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
ChEMBL: CHEMBL5088511
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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