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Target
Prothrombin
Ligand
BDBM50017941
Substrate
n/a
Meas. Tech.
ChEMBL_1364436 (CHEMBL3294777)
Ki
1240±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:
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:
BDBM50017941
Synonyms:
CHEMBL3289020
Type:
Small organic molecule
Emp. Form.:
C27H29N5O4
Mol. Mass.:
487.5503
SMILES:
NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NC2CCC(O)CC2)cc1 |(20.63,-.34,;19.29,.43,;19.29,1.97,;17.96,-.34,;16.63,.43,;15.29,-.34,;15.29,-1.88,;13.96,-2.65,;13.96,-4.19,;12.63,-4.96,;12.63,-6.5,;11.29,-7.27,;9.96,-6.5,;8.62,-7.27,;7.29,-6.5,;7.29,-4.96,;8.62,-4.19,;9.96,-4.96,;5.96,-4.19,;4.62,-4.96,;5.96,-2.65,;13.96,-7.27,;15.29,-6.5,;15.29,-4.96,;16.63,-7.27,;16.63,-8.81,;17.96,-6.5,;19.29,-7.27,;20.63,-6.5,;21.96,-7.27,;21.96,-8.81,;23.3,-9.58,;20.63,-9.58,;19.29,-8.81,;16.63,-2.65,;17.96,-1.88,)|
Structure:
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