Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50071566
Substrate
n/a
Meas. Tech.
ChEBML_208893
Ki
4.3±n/a nM
Citation
Ogbu, CO; Qabar, MN; Boatman, PD; Urban, J; Meara, JP; Ferguson, MD; Tulinsky, J; Lum, C; Babu, S; Blaskovich, MA; Nakanishi, H; Ruan, F; Cao, B; Minarik, R; Little, T; Nelson, S; Nguyen, M; Gall, A; Kahn, M Highly efficient and versatile synthesis of libraries of constrained beta-strand mimetics. Bioorg Med Chem Lett 8:2321-6 (1999) [PubMed] Article
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:
BDBM50071566
Synonyms:
2-Amino-8-benzyl-2-ethyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid (5-amino-1-aminooxalyl-pentyl)-amide | CHEMBL307727
Type:
Small organic molecule
Emp. Form.:
C24H32N6O5
Mol. Mass.:
484.5481
SMILES:
CCC1(N)C(=O)N2C(Cc3ccccc3)C=CC(N2C1=O)C(=O)NC(CCCCN)C(=O)C(N)=O |c:16|