Reaction Details Report a problem with these data
Target
Integrin alpha-IIb/beta-3
Ligand
BDBM50083836
Substrate
n/a
Meas. Tech.
ChEMBL_1458869 (CHEMBL3368768)
IC50
12±n/a nM
Citation
 Sheldrake, HM; Patterson, LH Strategies to inhibit tumor associated integrin receptors: rationale for dual and multi-antagonists. J Med Chem 57:6301-15 (2014) [PubMed]  Article 
Target
Name:
Integrin alpha-IIb/beta-3
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1458869
Components:
This complex has 2 components.
Component 1
Name:
Integrin alpha-IIb
Synonyms:
CD_antigen=CD41 | GPIIb | GPalpha IIb | ITA2B_MOUSE | Integrin alpha-IIb | Integrin alpha-IIb heavy chain | Integrin alpha-IIb light chain | Itga2b | Platelet membrane glycoprotein IIb
Type:
PROTEIN
Mol. Mass.:
112664.13
Organism:
Mus musculus
Description:
ChEMBL_109651
Residue:
1033
Sequence:
MARASCAWHSLWLLQWTPLFLGPSAVPPVWALNLDSEKFSVYAGPNGSHFGFSVDFHKDKHGSVSIVVGAPRALNASQEETGAVFLCPWKANGGKCNPLLFDLRDETRNLGFQIFQTFKTGQGLGASVVSWNDVIVACAPWQHWNVLEKRDEAEKTPVGGCFLAQLQSGGRAEYSPCRANTMSSVYAESFRGDKRYCEAGFSLAVTQAGELVLGAPGGYFFLGLLARVPIENIISSYRPGTLLWHVSNQRFTYDNSNPVFFDGYRGYSVAVGEFDGDPSTTEYVSGAPTWSWTLGAVEILDSYYQPLHRLHGEQMASYFGHSVAVTDVNGDGRHDLLVGAPLYMESRADRKLAEVGRVYLFLQPKGPQALSTPTLLLTGTQLYGRFGSAIAPLGDLNRDGYNDIAVAAPYGGPSGQGQVLIFLGQSEGLSPRPSQVLDSPFPTGSGFGFSLRGAVDIDDNGYPDLIVGAYGASKVAVYRAQPVVMATVQLMVQDSLNPTLKNCVLDQTKTPVSCFNIQMCVGATGHNIPQKLHLKAELQLDLQKPRQGRRVLLLASQQASLTLSLDLGGRDKPICHTTGAFLRDEADFRDKLSPIVLSLNVSLPPEETGGAPAVVLHGETHVQEQTRIILDCGEDDLCVPQLRLTATAGDSPLLIGADNVLELKIEAANDGEGAYEAELAVHLPPGAHYMRALSNIEGFERLVCTQKKENESRVALCELGNPMKKDTRIGITMLVSVENLEEAGESVSFQLQVRSKNSQNPNSKVVMLPVAIQAEATVELRGNSFPASLVVAAEEGDREQEDLDRWVSRLEHTYELHNIGPGTVNGLRLLIHIPGQSQPSDLLYILDVQPQGGLLCSTQPSPKVDWKLSTPSPSSIRPVHHQRERRQAFLQGPKPGQQDPVLVSCDGSASCTVVECELREMVRGQRAMVTVQVMLGLSSLRQRPQEQFVLQSHAWFNVSSLPYSVPVVSLPSGQARVQTQLLRALEERAIPVWWVLVGVLGGLLLLTLLVLAMWKAGFFKRNRPPLEEDEEEE
  
Component 2
Name:
Integrin beta-3
Synonyms:
CD_antigen=CD61 | GPIIIa | ITB3_MOUSE | Integrin beta-3 | Itgb3 | Platelet membrane glycoprotein IIIa
Type:
PROTEIN
Mol. Mass.:
86720.51
Organism:
Mus musculus
Description:
ChEMBL_109651
Residue:
787
Sequence:
MRAQWPGQLWAALLALGALAGVVVGESNICTTRGVNSCQQCLAVSPVCAWCSDETLSQGSPRCNLKENLLKDNCAPESIEFPVSEAQILEARPLSSKGSGSSAQITQVSPQRIALRLRPDDSKIFSLQVRQVEDYPVDIYYLMDLSFSMKDDLSSIQTLGTKLASQMRKLTSNLRIGFGAFVDKPVSPYMYISPPQAIKNPCYNMKNACLPMFGYKHVLTLTDQVSRFNEEVKKQSVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVLPNDGHCHIGTDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVSLYQNYSELIPGTTVGVLSDDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCVGLKIGDTVSFSIEAKVRGCPQEKEQSFTIKPVGFKDSLTVQVTFDCDCACQAFAQPSSPRCNNGNGTFECGVCRCDQGWLGSMCECSEEDYRPSQQEECSPKEGQPICSQRGECLCGQCVCHSSDFGKITGKYCECDDFSCVRYKGEMCSGHGQCNCGDCVCDSDWTGYYCNCTTRTDTCMSTNGLLCSGRGNCECGSCVCVQPGSYGDTCEKCPTCPDACSFKKECVECKKFNRGTLHEENTCSRYCRDDIEQVKELTDTGKNAVNCTYKNEDDCVVRFQYYEDTSGRAVLYVVEEPECPKGPDILVVLLSVMGAILLIGLATLLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT
  
Inhibitor
Name:
BDBM50083836
Synonyms:
2-(2,6-Dichloro-benzenesulfonylamino)-3-({1-[3-(1H-imidazol-2-ylamino)-propyl]-1H-indazole-5-carbonyl}-amino)-propionic acid | CHEMBL347415
Type:
Small organic molecule
Emp. Form.:
C23H23Cl2N7O5S
Mol. Mass.:
580.444
SMILES:
OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1c(Cl)cccc1Cl
Structure:
Search PDB for entries with ligand similarity: