Reaction Details |
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Target | Integrin alpha-IIb/beta-3 |
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Ligand | BDBM50146490 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_218195 (CHEMBL881547) |
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Ki | 2100±n/a nM |
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Citation | Xi, N; Arvedson, S; Eisenberg, S; Han, N; Handley, M; Huang, L; Huang, Q; Kiselyov, A; Liu, Q; Lu, Y; Nunez, G; Osslund, T; Powers, D; Tasker, AS; Wang, L; Xiang, T; Xu, S; Zhang, J; Zhu, J; Kendall, R; Dominguez, C N-Aryl-gamma-lactams as integrin alphavbeta3 antagonists. Bioorg Med Chem Lett14:2905-9 (2004) [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 |
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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BDBM50146490 |
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n/a |
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Name | BDBM50146490 |
Synonyms: | 3-(S)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-phenyl]-pyrrolidine-3-carbonyl}-amino)-propionic acid | CHEMBL431224 |
Type | Small organic molecule |
Emp. Form. | C25H27N5O6 |
Mol. Mass. | 493.5118 |
SMILES | OC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21| |
Structure |
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