Reaction Details |
| Report a problem with these data |
Target | Prothrombin |
---|
Ligand | BDBM50307861 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_612839 (CHEMBL1067528) |
---|
Ki | 5700±n/a nM |
---|
Citation | Muley, L; Baum, B; Smolinski, M; Freindorf, M; Heine, A; Klebe, G; Hangauer, DG Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors. J Med Chem53:2126-35 (2010) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Prothrombin |
---|
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: | MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC
VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV
NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE
CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA
QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG
DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI
DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN
DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP
VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST
RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY
GFYTHVFRLKKWIQKVIDQFGE
|
|
|
BDBM50307861 |
---|
n/a |
---|
Name | BDBM50307861 |
Synonyms: | (S)-1-butyryl-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide hydrochloride | CHEMBL598213 |
Type | Small organic molecule |
Emp. Form. | C17H24N4O2 |
Mol. Mass. | 316.3981 |
SMILES | CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N |r| |
Structure |
|