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Target
Coagulation factor X
Ligand
BDBM50017924
Substrate
n/a
Meas. Tech.
ChEMBL_1364435 (CHEMBL3294776)
Ki
3580±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:
BDBM50017924
Synonyms:
CHEMBL3289044
Type:
Small organic molecule
Emp. Form.:
C29H34N6O4
Mol. Mass.:
530.6181
SMILES:
NCCC(=O)Nc1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1 |r,wU:30.31,wD:33.35,(-.16,-9.38,;-.16,-7.84,;1.17,-7.07,;1.17,-5.53,;-.16,-4.76,;2.51,-4.76,;3.84,-5.53,;3.84,-7.07,;5.17,-7.84,;6.51,-7.07,;7.84,-7.84,;9.17,-7.07,;9.17,-5.53,;10.51,-4.76,;10.51,-3.22,;11.84,-2.45,;11.84,-.91,;13.18,-.14,;14.51,-.91,;14.51,-2.45,;13.18,-3.22,;15.84,-.14,;17.18,-.91,;15.84,1.4,;11.84,-5.53,;11.84,-7.07,;10.51,-7.84,;13.18,-7.84,;13.18,-9.38,;14.51,-7.07,;15.84,-7.84,;17.18,-7.07,;18.51,-7.84,;18.51,-9.38,;19.84,-10.15,;17.18,-10.15,;15.84,-9.38,;6.51,-5.53,;5.17,-4.76,)|
Structure:
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