BDBM50004058 (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid::N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine::N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine::tirofiban

SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O

InChI Key InChIKey=COKMIXFXJJXBQG-NRFANRHFSA-N

Data  36 IC50  4 Kd  1 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004058   

TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL

LigandBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Copy SMILESCopy InChI

Affinity DataEC50:  13.6nMAssay Description:Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometryMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
DrugBankMCE
KEGGMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedDrugBank
PDB3D Structure (crystal)
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