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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Integrin alpha-5/beta-1 [T112H] | ||
| Ligand | BDBM50199407 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Cell Adhesion Assay | ||
| IC50 | 505±n/a nM | ||
| Citation |  DeGrado, WF; Sheppard, D; Jo, H; Reed, NI; Tang, Y Anti-alphavbeta1 integrin compounds and methods US Patent US10131658 Publication Date 11/20/2018 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Integrin alpha-5/beta-1 [T112H] | |||
| Name: | Integrin alpha-5/beta-1 [T112H] | ||
| Synonyms: | Integrin alpha5beta1 | ||
| Type: | Protein Complex | ||
| Mol. Mass.: | n/a | ||
| Description: | Transfected K562 cell. | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Integrin beta-1 [T112H] | ||
| Synonyms: | CD29 antigen | FNRB | Fibronectin receptor subunit beta | ITB1_HUMAN | ITGB1 | Integrin VLA-4 subunit beta | Integrin beta1 | MDF2 | MSK12 | ||
| Type: | Membrane Protein | ||
| Mol. Mass.: | 88450.95 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P05556[T112H] | ||
| Residue: | 798 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Integrin alpha-5 | ||
| Synonyms: | CD49 antigen-like family member E | CD49e antigen | FNRA | Fibrinogen receptor subunit alpha 5 beta 1 | Fibronectin receptor subunit alpha | ITA5_HUMAN | ITGA5 | Integrin alpha-5 precursor | Integrin alpha-F | VLA-5 | ||
| Type: | Single-pass type I membrane protein | ||
| Mol. Mass.: | 114523.00 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 1049 | ||
| Sequence: |
| ||
| BDBM50199407 | |||
| n/a | |||
| Name | BDBM50199407 | ||
| Synonyms: | CHEMBL3902668 | US10131658, Compound 202 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H36N6O6S | ||
| Mol. Mass. | 584.687 | ||
| SMILES | NC(=N)N[C@H]1CC[C@H](CC1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r,wU:18.18,7.10,4.3,wD:22.22,(45.31,-17.29,;45.36,-15.75,;46.72,-15.02,;44.05,-14.93,;42.69,-15.66,;42.64,-17.2,;41.29,-17.92,;39.98,-17.11,;40.02,-15.57,;41.38,-14.85,;38.64,-17.84,;38.59,-19.38,;37.32,-17.03,;35.97,-17.76,;35.92,-19.3,;34.56,-20.03,;33.26,-19.21,;31.9,-19.94,;31.85,-21.48,;30.49,-22.21,;29.18,-21.4,;29.23,-19.86,;27.83,-22.13,;27.34,-23.59,;25.8,-23.6,;25.33,-22.13,;26.58,-21.22,;26.57,-19.68,;27.66,-18.58,;28.07,-20.07,;25.24,-18.91,;25.25,-17.38,;23.92,-16.61,;22.59,-17.38,;22.59,-18.92,;23.92,-19.68,;33.16,-22.29,;34.52,-21.56,;33.11,-23.83,;33.3,-17.68,;34.65,-16.95,)| | ||
| Structure | 
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