| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Integrin alpha-IIb/beta-3 |
|---|
| Ligand | BDBM50058237 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_70311 (CHEMBL678016) |
|---|
| Kd | 1.4±n/a nM |
|---|
| Citation |  Askew, BC; Bednar, RA; Bednar, B; Claremon, DA; Cook, JJ; McIntyre, CJ; Hunt, CA; Gould, RJ; Lynch, RJ; Lynch, JJ; Gaul, SL; Stranieri, MT; Sitko, GR; Holahan, MA; Glass, JD; Hamill, T; Gorham, LM; Prueksaritanont, T; Baldwin, JJ; Hartman, GD Non-peptide glycoprotein IIb/IIIa inhibitors. 17. Design and synthesis of orally active, long-acting non-peptide fibrinogen receptor antagonists. J Med Chem40:1779-88 (1997) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Integrin alpha-IIb/beta-3 |
|---|
| Name: | Integrin alpha-IIb/beta-3 |
|---|
| Synonyms: | Glycoprotein IIb/IIIa |
|---|
| Type: | n/a |
|---|
| Mol. Mass.: | n/a |
|---|
| Description: | ASSAY_ID of EBI is 30109 |
|---|
| Components: | This complex has 2 components. |
|---|
| Component 1 |
| 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: | MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLG
SPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRP
DDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFG
AFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSR
NRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCH
VGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLS
MDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDT
VSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGT
FECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFG
KITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLL
CSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRY
CRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDIL
VVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTF
TNITYRGT
|
|
|
|---|
| Component 2 |
| Name: | Integrin alpha-IIb |
|---|
| Synonyms: | CD_antigen=CD41 | GP2B | GPIIb | GPalpha IIb | Glycoprotein IIb | ITA2B_HUMAN | ITGA2B | ITGAB | Integrin alpha-IIb heavy chain | Integrin alpha-IIb light chain, form 1 | Integrin alpha-IIb light chain, form 2 | Integrin alpha-IIb/beta-3 | Integrin alpha-V/beta-3 and alpha-IIb/beta 3 | Platelet membrane glycoprotein IIb |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 113354.85 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P08514 |
|---|
| Residue: | 1039 |
|---|
| Sequence: | MARALCPLQALWLLEWVLLLLGPCAAPPAWALNLDPVQLTFYAGPNGSQFGFSLDFHKDS
HGRVAIVVGAPRTLGPSQEETGGVFLCPWRAEGGQCPSLLFDLRDETRNVGSQTLQTFKA
RQGLGASVVSWSDVIVACAPWQHWNVLEKTEEAEKTPVGSCFLAQPESGRRAEYSPCRGN
TLSRIYVENDFSWDKRYCEAGFSSVVTQAGELVLGAPGGYYFLGLLAQAPVADIFSSYRP
GILLWHVSSQSLSFDSSNPEYFDGYWGYSVAVGEFDGDLNTTEYVVGAPTWSWTLGAVEI
LDSYYQRLHRLRGEQMASYFGHSVAVTDVNGDGRHDLLVGAPLYMESRADRKLAEVGRVY
LFLQPRGPHALGAPSLLLTGTQLYGRFGSAIAPLGDLDRDGYNDIAVAAPYGGPSGRGQV
LVFLGQSEGLRSRPSQVLDSPFPTGSAFGFSLRGAVDIDDNGYPDLIVGAYGANQVAVYR
AQPVVKASVQLLVQDSLNPAVKSCVLPQTKTPVSCFNIQMCVGATGHNIPQKLSLNAELQ
LDRQKPRQGRRVLLLGSQQAGTTLNLDLGGKHSPICHTTMAFLRDEADFRDKLSPIVLSL
NVSLPPTEAGMAPAVVLHGDTHVQEQTRIVLDCGEDDVCVPQLQLTASVTGSPLLVGADN
VLELQMDAANEGEGAYEAELAVHLPQGAHYMRALSNVEGFERLICNQKKENETRVVLCEL
GNPMKKNAQIGIAMLVSVGNLEEAGESVSFQLQIRSKNSQNPNSKIVLLDVPVRAEAQVE
LRGNSFPASLVVAAEEGEREQNSLDSWGPKVEHTYELHNNGPGTVNGLHLSIHLPGQSQP
SDLLYILDIQPQGGLQCFPQPPVNPLKVDWGLPIPSPSPIHPAHHKRDRRQIFLPEPEQP
SRLQDPVLVSCDSAPCTVVQCDLQEMARGQRAMVTVLAFLWLPSLYQRPLDQFVLQSHAW
FNVSSLPYAVPPLSLPRGEAQVWTQLLRALEERAIPIWWVLVGVLGGLLLLTILVLAMWK
VGFFKRNRPPLEEDDEEGE
|
|
|
|---|
| BDBM50058237 |
|---|
| n/a |
|---|
| Name | BDBM50058237 |
|---|
| Synonyms: | (S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetrahydro-4H-1,5,8a-triaza-azulene-2-carbonyl]-amino}-propionic acid | CHEMBL300525 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C22H36N6O6S |
|---|
| Mol. Mass. | 512.623 |
|---|
| SMILES | CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(O)=O |
|---|
| Structure | 
|
|---|
Search and Browse
