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BioLiP

PDB CCD ID: LUE
Number of entries in BioLiP: 1
Chemical formula: C22 H24 N10 O
InChI: InChI=1S/C22H24N10O/c1-13-24-20(21-28-27-14(2)33-21)19-10-15(7-9-32(13)19)25-22-23-8-6-17(26-22)18-11-16(12-30(3)4)31(5)29-18/h6-11H,12H2,1-5H3,(H,23,25,26)
InChIKey: PAZNLQHSWVMGIW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)Cc1cc(nn1C)c2ccnc(Nc3ccn4c(C)nc(c5oc(C)nn5)c4c3)n2
OpenEye OEToolkits 2.0.7Cc1nc(c2n1ccc(c2)Nc3nccc(n3)c4cc(n(n4)C)CN(C)C)c5nnc(o5)C
Name:~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
ChEMBL: CHEMBL4753164
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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