Reaction Details | |||
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Target | Integrin alpha-4/beta-1 | ||
Ligand | BDBM50423671 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_593183 (CHEMBL1044938) | ||
IC50 | 6.4±n/a nM | ||
Citation | ![]() | ||
More Info.: | Get all data from this article, Assay Method | ||
Integrin alpha-4/beta-1 | |||
Name: | Integrin alpha-4/beta-1 | ||
Synonyms: | Fibronectin receptor beta/Integrin alpha-4 | Integrin alpha-4/beta-1 | ||
Type: | n/a | ||
Mol. Mass.: | n/a | ||
Description: | ASSAY_ID of EBI is 88912 | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
Name: | Integrin beta-1 | ||
Synonyms: | CD_antigen=CD29 | FNRB | Fibronectin receptor beta | Fibronectin receptor subunit beta | GPIIA | ITB1_HUMAN | ITGB1 | Integrin Glycoprotein IIa | MDF2 | MSK12 | ||
Type: | Enzyme | ||
Mol. Mass.: | 88400.38 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P05556 | ||
Residue: | 798 | ||
Sequence: |
| ||
Component 2 | |||
Name: | Integrin alpha-4 | ||
Synonyms: | CD49 antigen-like family member D | CD49D | CD49d antigen | CD_antigen=CD49d | ITA4_HUMAN | ITGA4 | Integrin alpha-4 | Integrin alpha-4/beta-7 | Integrin alpha-IV | Integrin alpha4 | VLA-4 | VLA-4 subunit alpha | integrin alpha 4 precursor | integrin alpha-4 precursor | ||
Type: | Membrane Protein | ||
Mol. Mass.: | 114897.35 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P13612 | ||
Residue: | 1032 | ||
Sequence: |
| ||
BDBM50423671 | |||
n/a | |||
Name | BDBM50423671 | ||
Synonyms: | CHEMBL585181 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H33ClFN3O6 | ||
Mol. Mass. | 586.051 | ||
SMILES | Cn1cc(C(=O)Nc2cc(F)c(CC(=O)N3C[C@@H](O)C[C@H]3CO[C@H]3CC[C@@H](CC3)C(O)=O)cc2Cl)c2ccccc12 |r,wU:26.30,20.21,17.17,wD:23.23,(16.59,-3.7,;16.91,-2.19,;18.31,-1.56,;18.14,-.02,;19.47,.75,;19.46,2.29,;20.81,-.01,;22.14,.76,;22.13,2.31,;23.46,3.08,;23.46,4.62,;24.8,2.31,;26.13,3.08,;27.47,2.32,;27.47,.78,;28.8,3.09,;29.28,4.56,;30.82,4.56,;31.9,5.65,;31.29,3.09,;30.04,2.19,;30.02,.65,;31.35,-.13,;31.34,-1.67,;29.99,-2.42,;29.97,-3.95,;31.3,-4.74,;32.64,-3.99,;32.66,-2.44,;31.28,-6.29,;29.94,-7.04,;32.6,-7.07,;24.81,.78,;23.49,0,;23.5,-1.54,;16.64,.28,;15.86,1.61,;14.33,1.6,;13.57,.26,;14.34,-1.06,;15.87,-1.05,)| | ||
Structure | ![]() |