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BioLiP

PDB CCD ID: RHH
Number of entries in BioLiP: 2
Chemical formula: C19 H19 N7 O
InChI: InChI=1S/C19H19N7O/c1-12-23-15-6-5-14(13-10-16(20)25-17(21)11-13)24-19(15)26(12)8-9-27-18-4-2-3-7-22-18/h2-7,10-11H,8-9H2,1H3,(H4,20,21,25)
InChIKey: QXPJTIYARGTANC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)N
CACTVS 3.385Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(N)nc(N)c4
Name:4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
ChEMBL: CHEMBL5077422
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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