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BioLiP

PDB CCD ID: 4L6
Number of entries in BioLiP: 1
Chemical formula: C17 H14 N6 O
InChI: InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
InChIKey: PTHVKCSYXICMAR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N
CACTVS 3.385Cc1cc2cn[nH]c2cc1c3cccc4c(N)c(nnc34)C(N)=O
ACDLabs 12.01Cc2cc1cnnc1cc2c3cccc4c3nnc(c4N)C(N)=O
Name:4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide
ChEMBL: CHEMBL3586447
ZINC: ZINC000205294816
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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