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Target
Coagulation factor X
Ligand
BDBM50017916
Substrate
n/a
Meas. Tech.
ChEMBL_1364435 (CHEMBL3294776)
Ki
44±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:
BDBM50017916
Synonyms:
CHEMBL3289038
Type:
Small organic molecule
Emp. Form.:
C27H29N5O4
Mol. Mass.:
487.5503
SMILES:
N[C@H]1CC[C@@H](CC1)OC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(22.46,-8.49,;21.13,-7.72,;21.13,-6.18,;19.8,-5.41,;18.46,-6.18,;18.46,-7.72,;19.8,-8.49,;17.13,-5.41,;15.8,-6.18,;15.8,-7.72,;14.46,-5.41,;14.46,-3.87,;13.13,-3.1,;13.13,-1.56,;14.46,-.79,;14.46,.75,;15.8,1.52,;17.13,.75,;17.13,-.79,;15.8,-1.56,;18.46,1.52,;19.8,.75,;18.46,3.06,;11.79,-3.87,;11.79,-5.41,;10.46,-6.18,;9.13,-5.41,;7.79,-6.18,;6.46,-5.41,;6.46,-3.87,;7.79,-3.1,;9.13,-3.87,;5.13,-3.1,;3.79,-3.87,;5.13,-1.56,;13.13,-6.18,)|
Structure:
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