Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM50591659
Substrate
n/a
Meas. Tech.
ChEMBL_2201133 (CHEMBL5113841)
Ki
<1.2±n/a nM
Citation
 Negi, A; Murphy, PV Development of Mcl-1 inhibitors for cancer therapy. Eur J Med Chem 210:0 (2021) [PubMed] 
Target
Name:
Induced myeloid leukemia cell differentiation protein Mcl-1
Synonyms:
BCL2L3 | Bcl-2-like protein 3 | Bcl-2-like protein 3 (Mcl-1) | Bcl-2-related protein EAT/mcl1 | Bcl2-L-3 | Induced myeloid leukemia cell differentiation protein (Mcl-1) | MCL1 | MCL1_HUMAN | Mcl-1 | Myeloid Cell factor-1 (Mcl-1) | Myeloid cell leukemia sequence 1 (BCL2-related) | mcl1/EAT
Type:
Membrane; Single-pass membrane protein
Mol. Mass.:
37332.87
Organism:
Homo sapiens (Human)
Description:
Q07820
Residue:
350
Sequence:
MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
  
Inhibitor
Name:
BDBM50591659
Synonyms:
CHEMBL5196373
Type:
Small organic molecule
Emp. Form.:
C39H38ClF3N6O6S
Mol. Mass.:
811.269
SMILES:
CN1CCN(CCOc2ccc(-c3c(sc4ncnc(O[C@H](Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccco3)c(C)c2Cl)CC1 |r,wU:21.21,(9.12,2.97,;7.64,2.57,;6.55,3.66,;5.06,3.26,;4.66,1.78,;3.17,1.38,;2.08,2.47,;.6,2.07,;.2,.58,;-1.29,.18,;-1.69,-1.3,;-.6,-2.39,;-1,-3.88,;-.09,-5.12,;-1,-6.37,;-2.46,-5.89,;-3.79,-6.66,;-5.13,-5.9,;-5.13,-4.35,;-3.79,-3.58,;-3.79,-2.04,;-5.13,-1.27,;-5.13,.27,;-6.46,1.04,;-7.79,.27,;-9.12,1.03,;-9.12,2.57,;-7.8,3.34,;-6.46,2.58,;-5.13,3.35,;-3.79,2.58,;-2.46,3.35,;-1.05,2.73,;-.02,3.87,;-.79,5.2,;-2.3,4.88,;-3.39,5.97,;-4.87,5.57,;-5.96,6.66,;-5.96,4.48,;-4.48,4.09,;-6.46,-2.04,;-7.79,-1.27,;-6.46,-3.58,;-2.46,-4.35,;1.45,-5.12,;2.35,-3.88,;3.81,-4.35,;3.81,-5.89,;2.35,-6.37,;.89,-1.99,;1.98,-3.08,;1.28,-.5,;2.77,-.1,;5.75,.69,;7.24,1.09,)|
Structure:
Search PDB for entries with ligand similarity: