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TargetIntegrin alpha-IIb/beta-3
LigandBDBM50010179
Substrate/Competitorn/a
Meas. Tech.ChEMBL_158828
IC50 9600±n/a nM
Citation Samanen, JAli, FRomoff, TCalvo, RSorenson, EVasko, JStorer, BBerry, DBennett, DStrohsacker, M Development of a small RGD peptide fibrinogen receptor antagonist with potent antiaggregatory activity in vitro. J Med Chem34:3114-25 (1991) [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 | 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 | GPIIb | GPalpha IIb | Glycoprotein IIb | Integrin alpha-IIb heavy chain | Integrin alpha-IIb light chain, form 1 | Integrin alpha-IIb light chain, form 2 | Integrin 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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BDBM50010179
NameBDBM50010179
Synonyms:1N-[1-formyl-(1S)-ethylcarbamoylmethylcarbamoylmethyl]-2-[2-(1H-5-imidazolyl)-1-[2-(1H-5-imidazolyl)-1-methylcarboxamido-(1S)-ethylcarboxamido]-(1S)-ethylcarboxamido]-4-methyl-(2S)-pentanamide [4-Carbamoyl-16-(2,6-diamino-hexanoylamino)-13-(3-guanidino-propyl)-3,3-dimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraaza-cycloheptadec-7-yl]-acetic acid | CHEMBL2370404
TypeSmall organic molecule
Emp. Form.C53H85N21O15S2
Mol. Mass.1320.504
SMILESCC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(N)=O |wU:4.4,61.90,45.46,65.67,18.26,77.79,wD:54.55,8.15,40.42,(6.33,-3.82,;4.7,-3.65,;4.8,-2.12,;3.32,-4.35,;3.23,-5.89,;1.84,-6.58,;.56,-5.72,;.66,-4.19,;-.82,-6.4,;-.92,-7.96,;.36,-8.8,;.43,-10.35,;1.91,-10.75,;2.77,-9.48,;1.7,-8.1,;-2.11,-5.56,;-3.5,-6.24,;-3.59,-7.79,;-4.77,-5.39,;-4.68,-3.86,;-3.31,-3.16,;-2.01,-3.58,;-.84,-2.81,;-1.52,-1.42,;-3.05,-1.65,;-6.16,-6.09,;-7.45,-5.23,;-8.83,-5.91,;-7.35,-3.69,;4.51,-6.73,;4.42,-8.29,;5.9,-6.05,;7.18,-6.9,;8.57,-6.22,;8.66,-4.68,;9.85,-7.08,;11.22,-6.38,;12.52,-7.23,;12.42,-8.78,;13.9,-6.55,;15.19,-7.41,;15.1,-8.94,;16.56,-6.71,;16.66,-5.17,;17.86,-7.56,;19.24,-6.87,;19.34,-5.34,;20.72,-4.66,;20.81,-3.11,;22.18,-2.42,;22.28,-.88,;20.51,-7.72,;20.42,-9.27,;21.9,-7.04,;23.19,-7.89,;22.58,-9.31,;22.54,-10.86,;23.05,-12.31,;24.06,-13.48,;22.62,-14.05,;23.83,-15.01,;25.42,-14.21,;26.96,-14.4,;28.45,-14.02,;28.9,-14.8,;29.71,-13.14,;30.81,-14.21,;30.44,-15.71,;28.95,-16.13,;31.54,-16.77,;30.55,-11.85,;30.88,-10.35,;32.43,-10.39,;30.65,-8.82,;29.89,-7.49,;28.67,-6.51,;29.4,-5.15,;27.21,-6.05,;27.4,-4.51,;28.81,-3.91,;29,-2.38,;30.43,-1.77,;30.62,-.24,;32.04,.35,;29.39,.67,;25.66,-6.15,;24.27,-6.78,;23.37,-5.53,;24.95,-15.69,;25.99,-16.82,;23.44,-16.01,)|
Structure
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