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Target
Exportin-1
Ligand
BDBM50527779
Substrate
n/a
Meas. Tech.
ChEMBL_1903487 (CHEMBL4405709)
IC50
151±n/a nM
Citation
 Tian, X; Gao, J; Liu, M; Lei, Y; Wang, F; Chen, J; Chu, P; Gao, J; Long, F; Liang, M; Long, X; Chu, H; Liu, C; Li, X; Sun, Q; Li, G; Yang, Y Small-Molecule Antagonist Targeting Exportin-1 via Rational Structure-Based Discovery. J Med Chem 63:3881-3895 (2020) [PubMed]  Article 
Target
Name:
Exportin-1
Synonyms:
CRM1 | XPO1 | XPO1_HUMAN
Type:
PROTEIN
Mol. Mass.:
123374.43
Organism:
Homo sapiens (Human)
Description:
ChEMBL_635789
Residue:
1071
Sequence:
MPAIMTMLADHAARQLLDFSQKLDINLLDNVVNCLYHGEGAQQRMAQEVLTHLKEHPDAWTRVDTILEFSQNMNTKYYGLQILENVIKTRWKILPRNQCEGIKKYVVGLIIKTSSDPTCVEKEKVYIGKLNMILVQILKQEWPKHWPTFISDIVGASRTSESLCQNNMVILKLLSEEVFDFSSGQITQVKSKHLKDSMCNEFSQIFQLCQFVMENSQNAPLVHATLETLLRFLNWIPLGYIFETKLISTLIYKFLNVPMFRNVSLKCLTEIAGVSVSQYEEQFVTLFTLTMMQLKQMLPLNTNIRLAYSNGKDDEQNFIQNLSLFLCTFLKEHDQLIEKRLNLRETLMEALHYMLLVSEVEETEIFKICLEYWNHLAAELYRESPFSTSASPLLSGSQHFDVPPRRQLYLPMLFKVRLLMVSRMAKPEEVLVVENDQGEVVREFMKDTDSINLYKNMRETLVYLTHLDYVDTERIMTEKLHNQVNGTEWSWKNLNTLCWAIGSISGAMHEEDEKRFLVTVIKDLLGLCEQKRGKDNKAIIASNIMYIVGQYPRFLRAHWKFLKTVVNKLFEFMHETHDGVQDMACDTFIKIAQKCRRHFVQVQVGEVMPFIDEILNNINTIICDLQPQQVHTFYEAVGYMIGAQTDQTVQEHLIEKYMLLPNQVWDSIIQQATKNVDILKDPETVKQLGSILKTNVRACKAVGHPFVIQLGRIYLDMLNVYKCLSENISAAIQANGEMVTKQPLIRSMRTVKRETLKLISGWVSRSNDPQMVAENFVPPLLDAVLIDYQRNVPAAREPEVLSTMAIIVNKLGGHITAEIPQIFDAVFECTLNMINKDFEEYPEHRTNFFLLLQAVNSHCFPAFLAIPPTQFKLVLDSIIWAFKHTMRNVADTGLQILFTLLQNVAQEEAAAQSFYQTYFCDILQHIFSVVTDTSHTAGLTMHASILAYMFNLVEEGKISTSLNPGNPVNNQIFLQEYVANLLKSAFPHLQDAQVKLFVTGLFSLNQDIPAFKEHLRDFLVQIKEFAGEDTSDLFLEEREIALRQADEEKHKRQMSVPGIFNPHEIPEEMCD
  
Inhibitor
Name:
BDBM50527779
Synonyms:
CHEMBL4440028
Type:
Small organic molecule
Emp. Form.:
C13H9F6NOS2
Mol. Mass.:
373.337
SMILES:
[O-][S@@+](\C=C\CCN=C=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: