Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50082612
Substrate
n/a
Meas. Tech.
ChEMBL_210598 (CHEMBL816565)
Ki
27±n/a nM
Citation
Brundish, D; Bull, A; Donovan, V; Fullerton, JD; Garman, SM; Hayler, JF; Janus, D; Kane, PD; McDonnell, M; Smith, GP; Wakeford, R; Walker, CV; Howarth, G; Hoyle, W; Allen, MC; Ambler, J; Butler, K; Talbot, MD Design and synthesis of thrombin inhibitors: analogues of MD-805 with reduced stereogenicity and improved potency. J Med Chem 42:4584-603 (1999) [PubMed] Article
More Info.:
Target
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:
MARVRGPRLPGCLALAALFSLVHSQHVFLAHQQASSLLQRARRANKGFLEEVRKGNLERECLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGNVSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRREECSVPVCGQDRVTVEVIPRSGGSTTSQSPLLETCVPDRGREYRGRLAVTTSGSRCLAWSSEQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDLGDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGRIVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS
Inhibitor
Name:
BDBM50082612
Synonyms:
3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid [1-(4-ethyl-piperidine-1-carbonyl)-4-guanidino-butyl]-amide | CHEMBL336929
Type:
Small organic molecule
Emp. Form.:
C23H38N6O3S
Mol. Mass.:
478.651
SMILES:
CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12