Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50380616
Substrate
n/a
Meas. Tech.
ChEMBL_813175 (CHEMBL2020841)
Ki
21±n/a nM
Citation
 Saupe, SM; Steinmetzer, T A new strategy for the development of highly potent and selective plasmin inhibitors. J Med Chem 55:1171-80 (2012) [PubMed]  Article 
Target
Name:
Coagulation factor X
Synonyms:
Activated coagulation factor X (FXa) | Activated factor Xa heavy chain | Coagulation factor X precursor | Coagulation factor Xa | F10 | FA10_HUMAN | Factor X heavy chain | Factor X light chain | Factor Xa | Stuart factor | Stuart-Prower factor
Type:
Enzyme
Mol. Mass.:
54726.60
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
488
Sequence:
MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEETCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKNCELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERRKRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPEVITSSPLK
  
Inhibitor
Name:
BDBM50380616
Synonyms:
CHEMBL2016869
Type:
Small organic molecule
Emp. Form.:
C43H51N9O6S
Mol. Mass.:
821.987
SMILES:
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1 |r,wU:11.10,wD:40.41,(10.73,-8.05,;9.41,-8.84,;9.42,-10.38,;8.06,-8.08,;6.74,-8.86,;5.4,-8.11,;5.39,-6.57,;4.05,-5.81,;4.03,-4.27,;2.69,-3.51,;1.36,-4.3,;2.68,-1.97,;4,-1.18,;3.98,.36,;2.63,1.11,;2.61,2.65,;3.94,3.43,;5.27,2.67,;6.6,3.46,;6.58,5,;7.91,5.78,;9.25,5.02,;7.89,7.32,;6.55,8.08,;5.22,7.29,;3.88,8.05,;3.87,9.59,;5.19,10.38,;6.53,9.62,;2.53,10.35,;1.21,9.57,;-.13,10.33,;1.22,8.03,;-.11,7.25,;-.09,5.71,;1.25,4.94,;1.26,3.4,;-.07,2.63,;-1.41,3.4,;-2.73,2.62,;-2.73,1.08,;-4.06,.3,;-5.39,1.07,;-6.17,2.41,;-4.63,2.41,;-6.72,.29,;-8.06,1.05,;-8.06,2.59,;-9.4,3.35,;-10.73,2.58,;-10.72,1.03,;-9.38,.27,;-1.39,.32,;-.06,1.09,;-1.38,-1.22,;-1.42,4.93,;5.3,1.14,;6.7,-5.78,;8.04,-6.53,)|
Structure:
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