Reaction Details | |||
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Target | Bcl-2-related protein A1 | ||
Ligand | BDBM50078160 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1472600 (CHEMBL3417965) | ||
Ki | >660±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 Chem58:2180-94 (2015) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Bcl-2-related protein A1 | |||
Name: | Bcl-2-related protein A1 | ||
Synonyms: | B2LA1_HUMAN | BCL2A1 | BCL2L5 | BFL1 | Bcl-2-like protein 5 | GRS | HBPA1 | Hemopoietic-specific early response protein | Protein BFL-1 | Protein GRS | ||
Type: | Apoptosis regulator protein | ||
Mol. Mass.: | 20130.01 | ||
Organism: | Homo sapiens (Human) | ||
Description: | n/a | ||
Residue: | 175 | ||
Sequence: |
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BDBM50078160 | |||
n/a | |||
Name | BDBM50078160 | ||
Synonyms: | CHEMBL3417701 | ||
Type | Small organic molecule | ||
Emp. Form. | C45H52N6O7S | ||
Mol. Mass. | 820.995 | ||
SMILES | Cc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-2.81,-12.36,;-3.79,-13.11,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-6.15,-13.92,;-7.69,-13.93,;-8.44,-15.28,;-9.98,-15.29,;-10.74,-16.63,;-12.28,-16.64,;-13.06,-15.32,;-12.3,-13.98,;-10.76,-13.96,;-14.6,-15.33,;-15.37,-16.67,;-16.91,-16.68,;-17.68,-15.35,;-16.92,-14.01,;-15.38,-14,;-19.23,-15.36,;-19.85,-14.3,;-19.83,-16.43,;-20.46,-15.37,;-5.26,-12.68,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,)| | ||
Structure |