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BioLiP

PDB CCD ID: 3Q1
Number of entries in BioLiP: 1
Chemical formula: C15 H17 N7 O
InChI: InChI=1S/C15H17N7O/c16-14-10-2-1-9(7-12(10)20-21-14)11-8-13(19-15(17)18-11)22-3-5-23-6-4-22/h1-2,7-8H,3-6H2,(H3,16,20,21)(H2,17,18,19)
InChIKey: IBSXLFOFZRSWEZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n3c(nc(c2ccc1c(N)nnc1c2)cc3N4CCOCC4)N
OpenEye OEToolkits 1.7.0c1cc2c(cc1c3cc(nc(n3)N)N4CCOCC4)n[nH]c2N
CACTVS 3.370Nc1[nH]nc2cc(ccc12)c3cc(nc(N)n3)N4CCOCC4
Name:6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine
ChEMBL: CHEMBL1614772
ZINC: ZINC000064502327
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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