Reaction Details |
| Report a problem with these data |
Target | Prothrombin |
---|
Ligand | BDBM50113825 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_210588 (CHEMBL817554) |
---|
Ki | 19000±n/a nM |
---|
Citation | Cozzini, P; Fornabaio, M; Marabotti, A; Abraham, DJ; Kellogg, GE; Mozzarelli, A Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water. J Med Chem45:2469-83 (2002) [PubMed] |
---|
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 | THRB_BOVIN | Thrombin | Thrombin heavy chain | Thrombin light chain |
Type: | Enzyme |
Mol. Mass.: | 70502.73 |
Organism: | Bos taurus (Bovine) |
Description: | P00735 |
Residue: | 625 |
Sequence: | MARVRGPRLPGCLALAALFSLVHSQHVFLAHQQASSLLQRARRANKGFLEEVRKGNLERE
CLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGN
VSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRRE
ECSVPVCGQDRVTVEVIPRSGGSTTSQSPLLETCVPDRGREYRGRLAVTTSGSRCLAWSS
EQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDL
GDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFE
SYIEGRIVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNF
TVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDY
IHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCK
ASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRD
GKYGFYTHVFRLKKWIQKVIDRLGS
|
|
|
BDBM50113825 |
---|
n/a |
---|
Name | BDBM50113825 |
Synonyms: | 1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylicacid anion | CHEMBL315611 |
Type | Small organic molecule |
Emp. Form. | C23H36N6O5S |
Mol. Mass. | 508.634 |
SMILES | CC1CCN(C(C1)C([O-])=O)C(=O)C(CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2C[C@@H](C)CNc12 |
Structure |
|