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Target
Coagulation factor X
Ligand
BDBM50017926
Substrate
n/a
Meas. Tech.
ChEMBL_1364435 (CHEMBL3294776)
Ki
282±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:
BDBM50017926
Synonyms:
CHEMBL3289019
Type:
Small organic molecule
Emp. Form.:
C28H31N5O3
Mol. Mass.:
485.5774
SMILES:
CC1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |(22.23,-8.98,;20.89,-8.21,;20.89,-6.67,;19.56,-5.9,;18.23,-6.67,;18.23,-8.21,;19.56,-8.98,;16.89,-5.9,;15.56,-6.67,;15.56,-8.21,;14.22,-5.9,;14.22,-4.36,;12.89,-3.59,;12.89,-2.05,;14.22,-1.28,;14.22,.26,;15.56,1.03,;16.89,.26,;16.89,-1.28,;15.56,-2.05,;18.23,1.03,;19.56,.26,;18.23,2.57,;11.56,-4.36,;11.56,-5.9,;10.22,-6.67,;8.89,-5.9,;7.56,-6.67,;6.22,-5.9,;6.22,-4.36,;7.56,-3.59,;8.89,-4.36,;4.89,-3.59,;3.55,-4.36,;4.89,-2.05,;12.89,-6.67,)|
Structure:
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