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BioLiP

PDB CCD ID: JNF
Number of entries in BioLiP: 1
Chemical formula: C18 H21 N5
InChI: InChI=1S/C18H21N5/c1-22(14-7-3-2-4-8-14)18-19-11-10-15(21-18)16-13-20-17-9-5-6-12-23(16)17/h5-6,9-14H,2-4,7-8H2,1H3
InChIKey: HYNNWLVWJXWXFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(C1CCCCC1)c2nccc(n2)c3cnc4ccccn34
ACDLabs 10.04n1ccc(nc1N(C2CCCCC2)C)c3cnc4ccccn34
OpenEye OEToolkits 1.5.0CN(c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4
OpenEye OEToolkits 1.5.0C[N@@](c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4
Name:N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine
ChEMBL: CHEMBL482708
DrugBank: DB08023
ZINC: ZINC000039079624
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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