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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM50519022
Substrate
n/a
Meas. Tech.
ChEMBL_1873842 (CHEMBL4375131)
Kd
30±n/a nM
Citation
 Szlávik, Z; Ondi, L; Csékei, M; Paczal, A; Szabó, ZB; Radics, G; Murray, J; Davidson, J; Chen, I; Davis, B; Hubbard, RE; Pedder, C; Dokurno, P; Surgenor, A; Smith, J; Robertson, A; LeToumelin-Braizat, G; Cauquil, N; Zarka, M; Demarles, D; Perron-Sierra, F; Claperon, A; Colland, F; Geneste, O; Kotschy, A Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J Med Chem 62:6913-6924 (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:
BDBM50519022
Synonyms:
CHEMBL4472351
Type:
Small organic molecule
Emp. Form.:
C31H35ClN4O4S
Mol. Mass.:
595.152
SMILES:
CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1C |r,wU:10.10,(65.68,-39.02,;64.91,-37.69,;63.37,-37.69,;62.47,-38.94,;61,-38.46,;59.67,-39.24,;58.33,-38.47,;58.33,-36.92,;59.67,-36.15,;59.67,-34.61,;58.33,-33.84,;58.33,-32.3,;56.99,-31.54,;57,-30,;55.67,-29.23,;54.33,-30,;54.34,-31.55,;55.67,-32.31,;57,-34.62,;55.66,-33.85,;57,-36.16,;61,-36.92,;62.47,-36.44,;62.94,-34.97,;61.91,-33.84,;62.38,-32.38,;63.89,-32.05,;64.36,-30.59,;65.87,-30.26,;66.34,-28.79,;67.84,-28.47,;68.88,-29.62,;70.38,-29.3,;70.86,-27.83,;72.35,-27.43,;69.83,-26.69,;68.31,-27.01,;64.92,-33.19,;66.43,-32.86,;64.45,-34.66,;65.48,-35.8,)|
Structure:
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