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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Integrin alpha-5/beta-1 [T112H] | ||
| Ligand | BDBM300926 | ||
| 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: |
| ||
| BDBM300926 | |||
| n/a | |||
| Name | BDBM300926 | ||
| Synonyms: | US10131658, Compound 196 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C58H72N10O13S3 | ||
| Mol. Mass. | 1213.446 | ||
| SMILES | CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)N[C@@H](CCNC(N)=N)C(=O)Nc3ccc(C[C@H](NC(=O)C4CCCN4S(=O)(=O)c4ccccc4)C(O)=O)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:47.48,32.32,(22.64,-14.99,;23.41,-13.65,;22.64,-12.32,;23.41,-10.98,;22.64,-9.65,;21.1,-12.32,;20.33,-10.98,;18.79,-10.98,;18.02,-12.32,;16.48,-12.32,;15.71,-10.98,;16.48,-9.65,;15.71,-8.32,;14.17,-8.32,;13.4,-9.65,;14.17,-10.98,;13.4,-12.32,;11.86,-12.32,;12.63,-10.98,;13.4,-13.86,;13.4,-6.98,;12.63,-8.32,;14.94,-6.98,;12.63,-5.65,;11.09,-5.65,;10.32,-4.32,;8.78,-4.32,;8.01,-2.98,;6.47,-2.98,;5.7,-1.65,;6.47,-.31,;4.16,-1.65,;3.07,-.56,;3.47,.93,;4.95,1.33,;5.35,2.81,;6.84,3.21,;7.24,4.7,;7.93,2.12,;1.58,-.96,;1.18,-2.45,;.49,.13,;-1,-.27,;-1.39,-1.75,;-2.88,-2.15,;-3.97,-1.06,;-5.46,-1.46,;-6.55,-.37,;-8.03,-.77,;-9.12,.32,;-8.73,1.8,;-10.61,-.08,;-11.09,-1.55,;-12.63,-1.55,;-13.1,-.08,;-11.86,.82,;-11.86,2.36,;-10.32,2.36,;-13.4,2.36,;-11.86,3.9,;-10.52,4.67,;-10.52,6.21,;-11.86,6.98,;-13.19,6.21,;-13.19,4.67,;-6.15,1.11,;-4.66,1.51,;-7.24,2.2,;-3.57,.42,;-2.08,.82,;15.71,-13.65,;14.17,-13.65,;13.4,-14.98,;14.17,-16.32,;15.71,-16.32,;16.48,-14.99,;18.02,-14.99,;18.79,-13.65,;20.33,-13.65,;13.4,-17.65,;11.86,-17.65,;11.09,-18.99,;14.17,-18.99,;13.4,-20.32,)| | ||
| Structure | 
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