Reaction Details | |||
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Target | Integrin alpha-V/beta-3 | ||
Ligand | BDBM50036088 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_214773 (CHEMBL816231) | ||
Ki | 3.5±n/a nM | ||
Citation | Keenan, RM; Miller, WH; Kwon, C; Ali, FE; Callahan, JF; Calvo, RR; Hwang, SM; Kopple, KD; Peishoff, CE; Samanen, JM; Wong, AS; Yuan, CK; Huffman, WF Discovery of potent nonpeptide vitronectin receptor (alpha v beta 3) antagonists. J Med Chem40:2289-92 (1997) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Integrin alpha-V/beta-3 | |||
Name: | Integrin alpha-V/beta-3 | ||
Synonyms: | ITGAV/ITGB3 | Integrin beta-3/Vitronectin receptor alpha | ||
Type: | Enzyme | ||
Mol. Mass.: | n/a | ||
Description: | n/a | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
Name: | Integrin alpha-V | ||
Synonyms: | ITAV_HUMAN | ITGAV | Integrin alpha-V/alpha-5 | MSK8 | VNRA | VTNR | Vitronectin receptor | Vitronectin receptor subunit alpha | ||
Type: | PROTEIN | ||
Mol. Mass.: | 116024.92 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_582336 | ||
Residue: | 1048 | ||
Sequence: |
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Component 2 | |||
Name: | Integrin beta-3 | ||
Synonyms: | CD_antigen=CD61 | GP3A | GPIIIa | ITB3_HUMAN | ITGB3 | Integrin alpha-V/beta-3/alpha-V/beta-5 | Platelet membrane glycoprotein IIIa | ||
Type: | Protein | ||
Mol. Mass.: | 87038.91 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P05106 | ||
Residue: | 788 | ||
Sequence: |
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BDBM50036088 | |||
n/a | |||
Name | BDBM50036088 | ||
Synonyms: | CHEMBL18734 | [(6S,13S)-13-(3-Guanidino-propyl)-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-20,21-dithia-5,8,11,14-tetraaza-dibenzo[a,e]cycloheptadecen-7-yl]-acetic acid | [(7S,13S)-13-(3-Guanidino-propyl)-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-20,21-dithia-5,8,11,14-tetraaza-dibenzo[a,e]cycloheptadecen-7-yl]-acetic acid | [13-(3-Guanidino-propyl)-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-20,21-dithia-5,8,11,14-tetraaza-dibenzo[a,e]cycloheptadecen-7-yl]-acetic acid (SK&F 107260) | ||
Type | Small organic molecule | ||
Emp. Form. | C26H31N7O6S2 | ||
Mol. Mass. | 601.698 | ||
SMILES | CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C1=O | ||
Structure |