Reaction Details | |||
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Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
Ligand | BDBM50508939 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1836298 (CHEMBL4336431) | ||
Ki | 42±n/a nM | ||
Citation | Balazs, AYS; Carbajo, RJ; Davies, NL; Dong, Y; Hird, AW; Johannes, JW; Lamb, ML; McCoull, W; Raubo, P; Robb, GR; Packer, MJ; Chiarparin, E Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles. J Med Chem62:9418-9437 (2019) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Induced myeloid leukemia cell differentiation protein Mcl-1 | |||
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: |
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BDBM50508939 | |||
n/a | |||
Name | BDBM50508939 | ||
Synonyms: | CHEMBL4443085 | ||
Type | Small organic molecule | ||
Emp. Form. | C34H35N5O3S | ||
Mol. Mass. | 593.738 | ||
SMILES | Cc1cc(CSCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)nn1C |(21.19,-26.33,;22.68,-25.93,;23.37,-24.56,;24.9,-24.79,;25.99,-23.71,;27.47,-24.11,;28.56,-23.02,;30.05,-23.42,;30.52,-24.88,;32.06,-24.88,;32.84,-26.21,;32.54,-23.42,;34.03,-23.02,;31.29,-22.51,;31.29,-20.97,;29.96,-20.21,;29.96,-18.67,;31.29,-17.89,;32.62,-18.66,;34.09,-18.19,;34.49,-16.7,;35.97,-16.3,;36.37,-14.82,;37.86,-14.42,;38.26,-12.93,;37.17,-11.83,;37.57,-10.35,;39.06,-9.95,;40.14,-11.03,;41.62,-10.63,;42.72,-11.71,;42.34,-13.2,;40.85,-13.61,;39.75,-12.52,;34.99,-19.43,;34.09,-20.68,;32.62,-20.2,;36.53,-19.43,;37.3,-20.76,;37.3,-18.1,;25.13,-26.32,;23.76,-27.02,;23.36,-28.5,)| | ||
Structure |