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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM50078158
Substrate
n/a
Meas. Tech.
ChEMBL_1472596 (CHEMBL3417961)
Ki
12±n/a nM
Citation
 Bruncko, M; Wang, L; Sheppard, GS; Phillips, DC; Tahir, SK; Xue, J; Erickson, S; Fidanze, S; Fry, E; Hasvold, L; Jenkins, GJ; Jin, S; Judge, RA; Kovar, PJ; Madar, D; Nimmer, P; Park, C; Petros, AM; Rosenberg, SH; Smith, ML; Song, X; Sun, C; Tao, ZF; Wang, X; Xiao, Y; Zhang, H; Tse, C; Leverson, JD; Elmore, SW; Souers, AJ Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J Med Chem 58:2180-94 (2015) [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:
BDBM50078158
Synonyms:
CHEMBL3417699
Type:
Small organic molecule
Emp. Form.:
C46H54N6O5
Mol. Mass.:
770.9582
SMILES:
CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(C)nn(C)c3COc3ccc(cc3)N3CCNCC3)c2n1CCN1CCOCC1 |(-2.22,9.38,;-1.29,8.57,;.16,9.07,;1.32,8.06,;1.09,6.85,;2.78,8.56,;4.01,7.7,;4.01,6.16,;2.67,5.39,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;5.25,8.57,;6.76,8.24,;7.8,9.4,;7.33,10.86,;5.8,11.19,;5.32,12.66,;3.87,13.12,;2.87,12.39,;3.87,14.66,;5.34,15.13,;5.72,16.3,;6.24,13.88,;7.78,13.86,;8.56,15.19,;10.1,15.17,;10.89,16.5,;12.43,16.48,;13.18,15.13,;12.4,13.81,;10.86,13.83,;14.72,15.12,;15.51,16.44,;17.05,16.42,;17.8,15.07,;17.01,13.75,;15.47,13.77,;4.78,10.03,;3.25,10.03,;2.34,11.27,;.8,11.1,;-.11,12.34,;-1.64,12.17,;-2.55,13.41,;-1.93,14.82,;-.4,14.99,;.51,13.75,)|
Structure:
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