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BioLiP

PDB CCD ID: 7B3
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N3 O
InChI: InChI=1S/C10H13N3O/c1-6-8-5-11-12-10(14-4)9(8)7(2)13(6)3/h5H,1-4H3
InChIKey: JBVFAOAKSYCBHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c2cnnc(c2c(n1C)C)OC
CACTVS 3.385COc1nncc2c(C)n(C)c(C)c12
Name:4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine
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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