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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM429076
Substrate
n/a
Meas. Tech.
ChEMBL_1884337 (CHEMBL4385919)
Ki
0.210000±n/a nM
Citation
 Lee, T; Christov, PP; Shaw, S; Tarr, JC; Zhao, B; Veerasamy, N; Jeon, KO; Mills, JJ; Bian, Z; Sensintaffar, JL; Arnold, AL; Fogarty, SA; Perry, E; Ramsey, HE; Cook, RS; Hollingshead, M; Davis Millin, M; Lee, KM; Koss, B; Budhraja, A; Opferman, JT; Kim, K; Arteaga, CL; Moore, WJ; Olejniczak, ET; Savona, MR; Fesik, SW Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer. J Med Chem 62:3971-3988 (2019) [PubMed]  Article 
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:
BDBM429076
Synonyms:
US10533010, Example I-174 | US11208415, Example I-174
Type:
Small organic molecule
Emp. Form.:
C39H39Cl2N5O4
Mol. Mass.:
712.664
SMILES:
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2ccn(C)c2c1 |r,wD:1.0,(-1.71,6.23,;-1.32,4.75,;.22,4.91,;1.12,3.66,;.49,2.25,;1.26,.92,;-1.04,2.09,;-1.94,.85,;-1.54,-.64,;-.06,-1.04,;.34,-2.53,;1.83,-2.93,;2.23,-4.41,;3.72,-4.81,;4.11,-6.3,;5.6,-6.7,;3.03,-7.39,;3.42,-8.88,;1.54,-6.99,;.45,-8.08,;1.14,-5.5,;-3.41,1.32,;-4.74,.55,;-6.07,1.32,;-6.07,2.86,;-7.41,3.63,;-4.74,3.63,;-4.74,5.17,;-3.49,6.08,;-2.16,5.31,;-3.97,7.54,;-5.51,7.54,;-6.28,8.88,;-5.99,6.08,;-7.32,5.31,;-3.41,2.86,;-1.94,3.34,;2.66,3.66,;3.43,2.33,;4.97,2.33,;5.74,.99,;4.97,-.34,;7.28,.99,;5.74,3.66,;7.25,3.98,;7.41,5.51,;6,6.14,;5.6,7.63,;4.97,4.99,;3.43,4.99,)|
Structure:
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