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BioLiP

PDB CCD ID: IJN
Number of entries in BioLiP: 4
Chemical formula: C19 H16 Cl N3 O2
InChI: InChI=1S/C19H16ClN3O2/c1-11-18-22(2)19(24)14-9-8-12(25-3)10-16(14)23(18)17(21-11)13-6-4-5-7-15(13)20/h4-10H,1-3H3
InChIKey: AHMFLINKVLCXJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1ccccc1c1nc(C)c2n1c1cc(OC)ccc1C(=O)N2C
OpenEye OEToolkits 2.0.7Cc1c2n(c(n1)c3ccccc3Cl)-c4cc(ccc4C(=O)N2C)OC
CACTVS 3.385COc1ccc2C(=O)N(C)c3n(c2c1)c(nc3C)c4ccccc4Cl
Name:(10S)-1-(2-chlorophenyl)-8-methoxy-3,4-dimethylimidazo[1,5-a]quinazolin-5(4H)-one
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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