Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50519050 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1873795 (CHEMBL4375084) | ||
| Ki | 21±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 Chem62:6913-6924 (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: |
| ||
| BDBM50519050 | |||
| n/a | |||
| Name | BDBM50519050 | ||
| Synonyms: | CHEMBL4465591 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H33ClN4O5S | ||
| Mol. Mass. | 609.136 | ||
| SMILES | CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(OCC(=O)N2CCN(C)CC2)c(Cl)c1C |r,wU:10.10,(39.71,-17.53,;38.94,-16.19,;37.4,-16.19,;36.5,-17.44,;35.03,-16.97,;33.7,-17.75,;32.36,-16.98,;32.36,-15.43,;33.69,-14.66,;33.69,-13.12,;32.36,-12.35,;32.35,-10.81,;31.02,-10.05,;31.03,-8.5,;29.69,-7.74,;28.36,-8.51,;28.37,-10.06,;29.7,-10.82,;31.02,-13.13,;29.69,-12.36,;31.03,-14.66,;35.03,-15.42,;36.5,-14.95,;36.96,-13.48,;35.94,-12.35,;36.41,-10.89,;37.92,-10.56,;38.39,-9.09,;39.89,-8.77,;40.36,-7.3,;39.33,-6.16,;41.87,-6.98,;42.91,-8.13,;44.41,-7.81,;44.88,-6.34,;46.37,-5.94,;43.85,-5.2,;42.34,-5.52,;38.95,-11.7,;40.45,-11.37,;38.48,-13.17,;39.51,-14.31,)| | ||
| Structure | 
| ||