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Target
Prothrombin
Ligand
BDBM50444518
Substrate
n/a
Meas. Tech.
ChEMBL_1281382 (CHEMBL3101477)
Ki
2500±n/a nM
Citation
 Goswami, R; Mukherjee, S; Wohlfahrt, G; Ghadiyaram, C; Nagaraj, J; Chandra, BR; Sistla, RK; Satyam, LK; Samiulla, DS; Moilanen, A; Subramanya, HS; Ramachandra, M Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors. ACS Med Chem Lett 4:1152-7 (2013) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50444518
Synonyms:
CHEMBL3099587
Type:
Small organic molecule
Emp. Form.:
C26H29N7O3
Mol. Mass.:
487.5536
SMILES:
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(26.14,-7.69,;26.15,-9.23,;24.81,-9.99,;24.81,-11.54,;26.14,-12.31,;27.48,-11.54,;27.47,-9.99,;26.15,-13.85,;27.48,-14.62,;28.81,-13.85,;27.48,-16.16,;28.82,-16.93,;28.82,-18.47,;30.16,-19.26,;31.5,-18.49,;31.51,-16.95,;32.84,-16.18,;34.19,-16.96,;34.17,-18.5,;32.83,-19.26,;35.55,-16.2,;35.59,-14.65,;36.88,-17,;27.48,-19.24,;26.15,-18.47,;24.81,-19.25,;24.82,-20.8,;26.15,-21.56,;26.15,-23.11,;24.82,-23.88,;23.49,-23.11,;23.49,-21.57,;24.81,-25.41,;23.47,-26.17,;26.13,-26.2,;26.16,-16.92,)|
Structure:
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