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BioLiP Library

PDB CCD ID: 0T6
Number of entries in BioLiP: 2
Chemical formula: C18 H15 Cl N4 O2
InChI: InChI=1S/C18H15ClN4O2/c1-10-17-22-21-16-14(8-11(24-2)9-15(16)25-3)23(17)18(20-10)12-6-4-5-7-13(12)19/h4-9H,1-3H3
InChIKey: ZXGQTWGCVTUQHJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc4ccccc4c3nc(c2nnc1c(OC)cc(OC)cc1n23)C
OpenEye OEToolkits 1.7.6Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC
CACTVS 3.370COc1cc(OC)c2nnc3n(c2c1)c(nc3C)c4ccccc4Cl
Name:1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
ChEMBL: CHEMBL2069321
ZINC: ZINC000068206864
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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