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Target
Coagulation factor X
Ligand
BDBM50017904
Substrate
n/a
Meas. Tech.
ChEMBL_1364435 (CHEMBL3294776)
Ki
743±n/a nM
Citation
 Goswami, R; Mukherjee, S; Ghadiyaram, C; Wohlfahrt, G; Sistla, RK; Nagaraj, J; Satyam, LK; Subbarao, K; Palakurthy, RK; Gopinath, S; Krishnamurthy, NR; Ikonen, T; Moilanen, A; Subramanya, HS; Kallio, P; Ramachandra, M Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy. Bioorg Med Chem 22:3187-203 (2014) [PubMed]  Article 
Target
Name:
Coagulation factor X
Synonyms:
Coagulation factor X | F10 | FA10_BOVIN | Factor Xa (fXa)
Type:
PROTEIN
Mol. Mass.:
54498.45
Organism:
Bos taurus
Description:
ChEMBL_1364435
Residue:
492
Sequence:
MAGLLHLVLLSTALGGLLRPAGSVFLPRDQAHRVLQRARRANSFLEEVKQGNLERECLEEACSLEEAREVFEDAEQTDEFWSKYKDGDQCEGHPCLNQGHCKDGIGDYTCTCAEGFEGKNCEFSTREICSLDNGGCDQFCREERSEVRCSCAHGYVLGDDSKSCVSTERFPCGKFTQGRSRRWAIHTSEDALDASELEHYDPADLSPTESSLDLLGLNRTEPSAGEDGSQVVRIVGGRDCAEGECPWQALLVNEENEGFCGGTILNEFYVLTAAHCLHQAKRFTVRVGDRNTEQEEGNEMAHEVEMTVKHSRFVKETYDFDIAVLRLKTPIRFRRNVAPACLPEKDWAEATLMTQKTGIVSGFGRTHEKGRLSSTLKMLEVPYVDRSTCKLSSSFTITPNMFCAGYDTQPEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKFGVYTKVSNFLKWIDKIMKARAGAAGSRGHSEAPATWTVPPPLPL
  
Inhibitor
Name:
BDBM50017904
Synonyms:
CHEMBL3289031
Type:
Small organic molecule
Emp. Form.:
C28H31N5O3
Mol. Mass.:
485.5774
SMILES:
CC1CCC(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |(17.03,-2.01,;17.03,-3.55,;15.69,-4.32,;15.69,-5.86,;17.03,-6.63,;18.36,-5.86,;18.36,-4.32,;17.03,-8.17,;18.36,-8.94,;15.69,-8.94,;14.36,-8.17,;14.36,-6.63,;13.03,-5.86,;13.03,-4.32,;11.69,-3.55,;11.69,-2.01,;10.36,-1.24,;9.03,-2.01,;9.03,-3.55,;10.36,-4.32,;7.69,-1.24,;6.36,-2.01,;7.69,.3,;11.69,-6.63,;11.69,-8.17,;10.36,-8.94,;9.03,-8.17,;7.69,-8.94,;6.36,-8.17,;6.36,-6.63,;7.69,-5.86,;9.03,-6.63,;5.02,-5.86,;3.69,-6.63,;5.02,-4.32,;13.03,-8.94,)|
Structure:
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