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BioLiP

PDB CCD ID: QFK
Number of entries in BioLiP: 1
Chemical formula: C20 H23 N9 O
InChI: InChI=1S/C20H23N9O/c1-13-24-18(19(30)21-2)16-9-15(6-8-28(13)16)25-20-22-7-5-17(26-20)29-12-14(10-23-29)11-27(3)4/h5-10,12H,11H2,1-4H3,(H,21,30)(H,22,25,26)
InChIKey: PLXRPQJOIKHDDA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)CN(C)C)C(=O)NC
CACTVS 3.385CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(CN(C)C)cn4)cc12
Name:7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
ChEMBL: CHEMBL4800498
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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