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Target
Prothrombin
Ligand
BDBM50082580
Substrate
n/a
Meas. Tech.
ChEMBL_210598 (CHEMBL816565)
Ki
48±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 
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:
BDBM50082580
Synonyms:
3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid {4-guanidino-1-[4-(2-hydroxy-ethyl)-piperidine-1-carbonyl]-butyl}-amide | CHEMBL448420
Type:
Small organic molecule
Emp. Form.:
C24H40N6O4S
Mol. Mass.:
508.677
SMILES:
CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCO)CC1
Structure:
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