Reaction Details Report a problem with these data
Target
Integrin alpha-IIb/beta-3
Ligand
BDBM50040762
Substrate
n/a
Meas. Tech.
ChEMBL_70313 (CHEMBL678018)
Ki
58.0±n/a nM
Citation
Ali, FE; Bennett, DB; Calvo, RR; Elliott, JD; Hwang, SM; Ku, TW; Lago, MA; Nichols, AJ; Romoff, TT; Shah, DH Conformationally constrained peptides and semipeptides derived from RGD as potent inhibitors of the platelet fibrinogen receptor and platelet aggregation. J Med Chem 37:769-80 (1994) [PubMed] Article
More Info.:
Target
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:
MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLGSPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRPDDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFGAFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCHVGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLSMDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDTVSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGTFECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFGKITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLLCSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRYCRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDILVVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT
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:
MARALCPLQALWLLEWVLLLLGPCAAPPAWALNLDPVQLTFYAGPNGSQFGFSLDFHKDSHGRVAIVVGAPRTLGPSQEETGGVFLCPWRAEGGQCPSLLFDLRDETRNVGSQTLQTFKARQGLGASVVSWSDVIVACAPWQHWNVLEKTEEAEKTPVGSCFLAQPESGRRAEYSPCRGNTLSRIYVENDFSWDKRYCEAGFSSVVTQAGELVLGAPGGYYFLGLLAQAPVADIFSSYRPGILLWHVSSQSLSFDSSNPEYFDGYWGYSVAVGEFDGDLNTTEYVVGAPTWSWTLGAVEILDSYYQRLHRLRGEQMASYFGHSVAVTDVNGDGRHDLLVGAPLYMESRADRKLAEVGRVYLFLQPRGPHALGAPSLLLTGTQLYGRFGSAIAPLGDLDRDGYNDIAVAAPYGGPSGRGQVLVFLGQSEGLRSRPSQVLDSPFPTGSAFGFSLRGAVDIDDNGYPDLIVGAYGANQVAVYRAQPVVKASVQLLVQDSLNPAVKSCVLPQTKTPVSCFNIQMCVGATGHNIPQKLSLNAELQLDRQKPRQGRRVLLLGSQQAGTTLNLDLGGKHSPICHTTMAFLRDEADFRDKLSPIVLSLNVSLPPTEAGMAPAVVLHGDTHVQEQTRIVLDCGEDDVCVPQLQLTASVTGSPLLVGADNVLELQMDAANEGEGAYEAELAVHLPQGAHYMRALSNVEGFERLICNQKKENETRVVLCELGNPMKKNAQIGIAMLVSVGNLEEAGESVSFQLQIRSKNSQNPNSKIVLLDVPVRAEAQVELRGNSFPASLVVAAEEGEREQNSLDSWGPKVEHTYELHNNGPGTVNGLHLSIHLPGQSQPSDLLYILDIQPQGGLQCFPQPPVNPLKVDWGLPIPSPSPIHPAHHKRDRRQIFLPEPEQPSRLQDPVLVSCDSAPCTVVQCDLQEMARGQRAMVTVLAFLWLPSLYQRPLDQFVLQSHAWFNVSSLPYAVPPLSLPRGEAQVWTQLLRALEERAIPIWWVLVGVLGGLLLLTILVLAMWKVGFFKRNRPPLEEDDEEGE
Inhibitor
Name:
BDBM50040762
Synonyms:
CHEMBL2371456 | [(7S,13S,16R)-16-Acetylamino-4-carbamoyl-13-(3-guanidino-propyl)-3,3,14-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraaza-cycloheptadec-7-yl]-acetic acid
Type:
Small organic molecule
Emp. Form.:
C23H39N9O8S2
Mol. Mass.:
633.741
SMILES:
[#6]-[#7]-1-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#7])=O)C([#6])([#6])[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6]-1=O