| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Prothrombin |
|---|
| Ligand | BDBM12588 |
|---|
| Substrate/Competitor | BDBM12583 |
|---|
| Meas. Tech. | Thrombin Assay |
|---|
| pH | 8±n/a |
|---|
| Temperature | 295.15±n/a K |
|---|
| IC50 | 1.4±n/a nM |
|---|
| Citation |  Howard, N; Abell, C; Blakemore, W; Chessari, G; Congreve, M; Howard, S; Jhoti, H; Murray, CW; Seavers, LC; van Montfort, RL Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors. J Med Chem49:1346-55 (2006) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, 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
|
|
|
|---|
| BDBM12588 |
|---|
| BDBM12583 |
|---|
| Name | BDBM12588 |
|---|
| Synonyms: | (2R,3S)-3-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}amino)-2-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)-4-phenylbutane-1-sulfonamido | benzenesulfonamide-chlorophenyl hybrid compound 6 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C28H33ClN6O4S |
|---|
| Mol. Mass. | 585.117 |
|---|
| SMILES | COc1cc(C)c(c(C)c1C)S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1-n1cnnn1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
