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BioLiP

PDB CCD ID: 8LN
Number of entries in BioLiP: 1
Chemical formula: C20 H21 Cl N8
InChI: InChI=1S/C20H21ClN8/c1-13-16(12-29(27-13)14-5-7-22-8-6-14)25-20-24-10-15(21)19(26-20)17-11-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,25,26)
InChIKey: JVFLXTNKVBOVBS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(cn(n1)C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl
CACTVS 3.385Cc1nn(cc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)C5CCNCC5
Name:5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine
ChEMBL: CHEMBL3823007
ZINC: ZINC000584905497
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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