Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM639341
Substrate
n/a
Meas. Tech.
Enzymatic Activity Assay
IC50
0.830±n/a nM
Citation
Beck, H; Mesch, S; Vakalopoulos, A; Pfaff, N; Zimmermann, S; Follmann, M; Kersten, E; Levilain, G; Partikel, K; Broehl, AP; Heitmeier, S; Dietze-Torres, J; Lehmann, L; Gericke, KM; Süßmeier, F; Bärfacker, L; Hillisch, A; Tersteegen, A; Buchmüller, A; Gerdes, C SUBSTITUTED S-ALANINATE DERIVATIVES US Patent US20230391761 Publication Date 12/7/2023
More Info.:
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:
BDBM639341
Synonyms:
2-(1-Methyl-1H-imidazol-5-yl)ethyl 3-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-ethyl-3-(2-oxopyrrolidin-1-yl)benzene-1-sulfonyl]-S-alaninate hydrochloride | US20230391761, Reference 9
Type:
Small organic molecule
Emp. Form.:
C26H30ClN5O6S2
Mol. Mass.:
608.129
SMILES:
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1cncn1C)N1CCCC1=O |r|