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Target
Integrin beta-3/subunit alpha 2b
Ligand
BDBM50453875
Substrate
n/a
Meas. Tech.
ChEMBL_1751423 (CHEMBL4186183)
EC50
1660±n/a nM
Citation
 Wang, X; Wang, Y; Wu, J; Gui, L; Zhang, X; Zheng, M; Wang, Y; Zhao, S; Li, Z; Zhao, M; Peng, S Docking based design of diastereoisomeric MTCA as GPIIb/IIIa receptor inhibitor. Bioorg Med Chem Lett 27:5114-5118 (2017) [PubMed]  Article 
Target
Name:
Integrin beta-3/subunit alpha 2b
Synonyms:
Integrin subunit alpha 2b/beta-3
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1751423
Components:
This complex has 2 components.
Component 1
Name:
Integrin subunit alpha 2b
Synonyms:
Integrin subunit alpha 2b | Itga2b
Type:
PROTEIN
Mol. Mass.:
112625.47
Organism:
Rattus norvegicus
Description:
ChEMBL_118300
Residue:
1034
Sequence:
MARASCAWNTLWLLQWTPLFLGPSAAPPAWALNLDSVKFSVYTGPNGSHFGFSVDFHKDSHGSVSIVVGAPRALNANQEETGGVFLCPWKANNGTCTSLLFDLRDETRKLSLQTFQTFKTGQGLGASVLSWNDVIVACAPWQHWNVLEKYDEAEKTPVGGCFVAELQSGGRAEYSPCRSNTMSSVYSQGFSGDKRYCEAGFSLAVTQAGELVLGAPGGYFFLGLLVRVPIENIISSYRPGTLLWHVSNQRFSYDSSNPVYFHGYRGYSVAVGEFDGDLSTTEYIFGAPTWSWTLGAVEILDSYYQTLHRLHGEQMASYFGHSVAVTDVNGDGRHDLLVGAPLYMESRVDRKLAEVGRVYLFLQPKGLQALSSPTLVLTGTQVYGRFGSAIAPLGDLNRDGYNDVAVAAPYGGPSGQGQVLIFLGQSEGLSPRPSQVLDSPFPTGSGFGFSLRGSVDIDDNGYPDLIVGAYGASKVAVYRAQPVVMATVQLMVQDSLNPTLKNCVLEQTKTPVSCFNVQMCVGATGHNIPQKLHLKAELQLDLQKPRQARRVLLLASRQASLTLSLDLGGRNKPICHTIKAFLRDEADFRDKLSPIVLSLNVSLPPEETGVAPAVVLHGVTHVQEQTRIILDCGEDNLCVPQLQLTATAGDSPLLIGADNVLELKVNASNDGEGAYEAELAVHLPPGAHYIRAFSNVKGFERLVCTQKKENESRLALCELGNPMKKDTRIGITMLVSVEILEEAGDSVSFQLQIRSKNSQNPNSEAVLLPVAVRAEAAVELRGNSFPASLVVAAEEVDKEQDGLDSWVSRVEHTYELHNNGPGTVNGLSLIIHLPGQSQPSDLLYILDVQPKGGLLCSTQPPPKVDRRLTTPSPSSIRRIHHDRDRREASPQGSKQTEQQDPVLVSCNGSAPCTVVECELQEMVRGQRAMVTVQATLGLSILRQRPQEQFVLQSHAWFNVSSLPYSVPVVSLPSGQGLVQTHLLRALEERDIPVWWVLVGVLGGLLLLTLLVLAMWKAGFFKRNRPPLEEEEEEE
  
Component 2
Name:
Integrin beta-3
Synonyms:
GPIIIa | ITB3_RAT | Integrin beta-3 | Itgb3 | Platelet membrane glycoprotein IIIa
Type:
PROTEIN
Mol. Mass.:
86916.53
Organism:
Rattus norvegicus
Description:
ChEMBL_118300
Residue:
787
Sequence:
MRTRRPGQLWATLLALGALAGVVVGESNICTTRGVNSCQQCLAVSPVCAWCSDESLPQNSPRCNLKKNLLKDKCSPESIEFPVSEAQILEALPLSSKGSGDSAQITQVSPQRIALRLRPDDSKIFSLQVRQVEDYPVDIYYLMDLSFSMKDDLSSIQTLGTKLASQMRKLTSNLRIGFGAFVDKPVSPYMFISPPQAIKNPCYTMKSTCLPMFGYKHVLTLTDQVTRFNDEVKKQSVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVLPNDGRCHIGPDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVSLYQNYSELIPGTTVGVLSDDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCVGLKIGDTVSFSIEAKVRGCPQQKEQSFTIKPVGFKDSLTVQVTFDCDCDCQAFAQPLSPRCNNGNGTFECGVCRCDQGWLGSMCECSEEDYRPSQQEECSPKEGQPICSQRGECLCGQCVCHSSDFGKITGKYCECDDFSCVRYKGEMCSGHGQCNCGDCVCDSDWTGYYCNCTTRTDTCMSTNGLLCSGRGNCECGSCVCVQPGSYGDTCEKCPTCPDACSFKKDCVECKKFNRGKLHEENNCNRFCRDDIELVKELTDTGKNAVNCTYKNEDDCVVRFQYYEDSSGRAVLYVVEEPECPKGPDILVVLLSVMGAILLIGLATLLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT
  
Inhibitor
Name:
BDBM50453875
Synonyms:
CHEMBL1811964
Type:
Small organic molecule
Emp. Form.:
C13H14N2O2
Mol. Mass.:
230.2625
SMILES:
C[C@@H]1N[C@@H](Cc2c1[nH]c1ccccc21)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: