Reaction Details |
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Target | Integrin alpha-IIb/beta-3 |
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Ligand | BDBM50085606 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_70309 (CHEMBL677856) |
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IC50 | 72±n/a nM |
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Citation | Fisher, MJ; Giese, U; Harms, CS; Kinnick, MD; Lindstrom, TD; McCowan, JR; Mest, HJ; Morin, JM; Mullaney, JT; Paal, M; Rapp, A; Rühter, G; Ruterbories, KJ; Sall, DJ; Scarborough, RM; Schotten, T; Stenzel, W; Towner, RD; Um, SL; Utterback, BG; Wyss, VL; Jakubowski, JA Fused bicyclic Gly-Asp beta-turn mimics with potent affinity for GPIIb-IIIa. Exploration of the arginine isostere. Bioorg Med Chem Lett10:385-9 (2000) [PubMed] |
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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 |
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
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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
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BDBM50085606 |
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n/a |
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Name | BDBM50085606 |
Synonyms: | CHEMBL127355 | [6-(4-Carbamimidoyl-2-trifluoromethyl-benzoylamino)-1-oxo-1,2,3,4-tetrahydro-naphthalen-2-yl]-acetic acid |
Type | Small organic molecule |
Emp. Form. | C21H18F3N3O4 |
Mol. Mass. | 433.3805 |
SMILES | NC(=N)c1ccc(C(=O)Nc2ccc3C(=O)C(CC(O)=O)CCc3c2)c(c1)C(F)(F)F |
Structure |
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