| Reaction Details |
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 | Report a problem with these data |
| Target | Integrin alpha-IIb/beta-3 |
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| Ligand | BDBM50003867 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_30110 (CHEMBL642037) |
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| IC50 | 1.9±n/a nM |
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| Citation |  Weller, T; Alig, L; Beresini, M; Blackburn, B; Bunting, S; Hadváry, P; Müller, MH; Knopp, D; Levet-Trafit, B; Lipari, MT; Modi, NB; Müller, M; Refino, CJ; Schmitt, M; Schönholzer, P; Weiss, S; Steiner, B Orally active fibrinogen receptor antagonists. 2. Amidoximes as prodrugs of amidines. J Med Chem39:3139-47 (1996) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Integrin alpha-IIb/beta-3 |
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| Name: | Integrin alpha-IIb/beta-3 |
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| Synonyms: | Glycoprotein IIb/IIIa |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 30109 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Integrin beta-3 |
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| Synonyms: | CD_antigen=CD61 | GP3A | GPIIIa | ITB3_HUMAN | ITGB3 | Integrin alpha-V/beta-3/alpha-V/beta-5 | Platelet membrane glycoprotein IIIa |
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| Type: | Protein |
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| Mol. Mass.: | 87038.91 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05106 |
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| Residue: | 788 |
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| Sequence: | MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLG
SPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRP
DDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFG
AFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSR
NRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCH
VGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLS
MDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDT
VSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGT
FECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFG
KITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLL
CSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRY
CRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDIL
VVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTF
TNITYRGT
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| Component 2 |
| Name: | Integrin alpha-IIb |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 113354.85 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P08514 |
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| Residue: | 1039 |
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| Sequence: | MARALCPLQALWLLEWVLLLLGPCAAPPAWALNLDPVQLTFYAGPNGSQFGFSLDFHKDS
HGRVAIVVGAPRTLGPSQEETGGVFLCPWRAEGGQCPSLLFDLRDETRNVGSQTLQTFKA
RQGLGASVVSWSDVIVACAPWQHWNVLEKTEEAEKTPVGSCFLAQPESGRRAEYSPCRGN
TLSRIYVENDFSWDKRYCEAGFSSVVTQAGELVLGAPGGYYFLGLLAQAPVADIFSSYRP
GILLWHVSSQSLSFDSSNPEYFDGYWGYSVAVGEFDGDLNTTEYVVGAPTWSWTLGAVEI
LDSYYQRLHRLRGEQMASYFGHSVAVTDVNGDGRHDLLVGAPLYMESRADRKLAEVGRVY
LFLQPRGPHALGAPSLLLTGTQLYGRFGSAIAPLGDLDRDGYNDIAVAAPYGGPSGRGQV
LVFLGQSEGLRSRPSQVLDSPFPTGSAFGFSLRGAVDIDDNGYPDLIVGAYGANQVAVYR
AQPVVKASVQLLVQDSLNPAVKSCVLPQTKTPVSCFNIQMCVGATGHNIPQKLSLNAELQ
LDRQKPRQGRRVLLLGSQQAGTTLNLDLGGKHSPICHTTMAFLRDEADFRDKLSPIVLSL
NVSLPPTEAGMAPAVVLHGDTHVQEQTRIVLDCGEDDVCVPQLQLTASVTGSPLLVGADN
VLELQMDAANEGEGAYEAELAVHLPQGAHYMRALSNVEGFERLICNQKKENETRVVLCEL
GNPMKKNAQIGIAMLVSVGNLEEAGESVSFQLQIRSKNSQNPNSKIVLLDVPVRAEAQVE
LRGNSFPASLVVAAEEGEREQNSLDSWGPKVEHTYELHNNGPGTVNGLHLSIHLPGQSQP
SDLLYILDIQPQGGLQCFPQPPVNPLKVDWGLPIPSPSPIHPAHHKRDRRQIFLPEPEQP
SRLQDPVLVSCDSAPCTVVQCDLQEMARGQRAMVTVLAFLWLPSLYQRPLDQFVLQSHAW
FNVSSLPYAVPPLSLPRGEAQVWTQLLRALEERAIPIWWVLVGVLGGLLLLTILVLAMWK
VGFFKRNRPPLEEDDEEGE
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| BDBM50003867 |
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| n/a |
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| Name | BDBM50003867 |
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| Synonyms: | CHEMBL65267 | Ro-44-3888 | {1-[(S)-2-(4-Carbamimidoyl-benzoylamino)-propionyl]-piperidin-4-yloxy}-acetic acid | {1-[2-(4-Carbamimidoyl-benzoylamino)-propionyl]-1,2,3,4-tetrahydro-pyridin-4-yloxy}-acetic acid(Ro 44-3888) | {1-[2-(4-Carbamimidoyl-benzoylamino)-propionyl]-piperidin-4-yloxy}-acetic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C18H24N4O5 |
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| Mol. Mass. | 376.407 |
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| SMILES | C[C@H](NC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC1)OCC(O)=O |
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| Structure | 
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