Reaction Details  Report a problem with these data
Target
Prothrombin
Ligand
BDBM551933
Substrate
n/a
Meas. Tech.
Counterscreens for Selectivity
IC50
>50000±n/a nM
Citation
 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases US Patent  US11312723 Publication Date 4/26/2022
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:
BDBM551933
Synonyms:
1-(3-amino-2- (2-methyl-1H- indole-4- carbonyl)-4,5- dihydro-2H- pyrazolo[3,4- c]pyridin-6(7H)- yl)ethanone | US11312723, Example 99
Type:
Small organic molecule
Emp. Form.:
C18H19N5O2
Mol. Mass.:
337.3758
SMILES:
CC(=O)N1CCc2c(C1)nn(C(=O)c1cccc3[nH]c(C)cc13)c2N
Structure:
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