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BioLiP

PDB CCD ID: KSL
Number of entries in BioLiP: 1
Chemical formula: C20 H18 N4
InChI: InChI=1S/C20H18N4/c1-14-7-6-8-15(2)19(14)23-20-18-11-21-13-24(18)17(12-22-20)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,22,23)
InChIKey: KKYYLKPGILUPOA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2cc(n1c(cnc1)c2Nc3c(cccc3C)C)c4ccccc4
OpenEye OEToolkits 1.5.0Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C
CACTVS 3.341Cc1cccc(C)c1Nc2ncc(n3cncc23)c4ccccc4
Name:N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
ChEMBL: CHEMBL223873
DrugBank: DB08056
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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