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BioLiP

PDB CCD ID: JFO
Number of entries in BioLiP: 4
Chemical formula: C17 H14 Cl N5 O
InChI: InChI=1S/C17H14ClN5O/c1-9-14-15(19)21-12-7-8-13(24-2)22-17(12)23(14)16(20-9)10-5-3-4-6-11(10)18/h3-8H,1-2H3,(H2,19,21)
InChIKey: VZYHJJOJTOWJSO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2nc(N)c3n(c2n1)c(nc3C)c4ccccc4Cl
OpenEye OEToolkits 2.0.7Cc1c2c(nc3ccc(nc3n2c(n1)c4ccccc4Cl)OC)N
ACDLabs 12.01Clc1ccccc1c1nc(C)c2c(N)nc3ccc(OC)nc3n21
Name:(10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine
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)(download the PDF file).
  • 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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