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Target
Prothrombin
Ligand
BDBM50082594
Substrate
n/a
Meas. Tech.
ChEMBL_210598 (CHEMBL816565)
Ki
49±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:
BDBM50082594
Synonyms:
CHEMBL356067 | N-[1-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-4-guanidino-butyl]-3-(1-methyl-1-phenyl-ethyl)-benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C30H37N5O3S
Mol. Mass.:
547.711
SMILES:
CC(C)(c1ccccc1)c1cccc(c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCc2ccccc2C1
Structure:
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