BDBM50180306 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE::8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)adenine::CHEMBL383189::US10336757, Compound PU-HT64::US10676476, Example 5

SMILES: CC(C)NCCCn1c(Sc2cc3OCOc3cc2Br)nc2c(N)ncnc12

InChI Key: InChIKey=MWGWLDJLENCVRQ-UHFFFAOYSA-N

Data: 2 IC50  6 EC50

PDB links: 2 PDB IDs match this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match