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Reaction Details
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TargetProthrombin
LigandBDBM50288614
Substrate/Competitorn/a
Meas. Tech.ChEBML_208898
Ki 3.1±n/a nM
Citation Fevig, JMAbelman, MMBrittelli, DRKettner, CAKnabb, RMWeber, PC Design and synthesis of ring-constrained boropeptide thrombin inhibitors Bioorg Med Chem Lett6:295-300 (1996)    Article
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 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50288614
n/a
NameBDBM50288614
Synonyms:(3R,4S)-3-{(S)-2-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-pentylcarbamoyl]-pyrrolidine-1-carbonyl}-4-(3-trifluoromethyl-phenyl)-pyrrolidine-1-carboxylic acid tert-butyl ester; hydrochloride | CHEMBL2448350
TypeSmall organic molecule
Emp. Form.C37H55BClF3N4O6
Mol. Mass.755.115
SMILESCl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CN(C[C@@H]1c1cccc(c1)C(F)(F)F)C(=O)OC(C)(C)C |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3|
Structure
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