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Target
Prothrombin
Ligand
BDBM50100972
Substrate
n/a
Meas. Tech.
ChEMBL_209399 (CHEMBL811331)
Ki
30±n/a nM
Citation
 Cui, JJ; Araldi, GL; Reiner, JE; Reddy, KM; Kemp, SJ; Ho, JZ; Siev, DV; Mamedova, L; Gibson, TS; Gaudette, JA; Minami, NK; Anderson, SM; Bradbury, AE; Nolan, TG; Semple, JE Non-covalent thrombin inhibitors featuring P3-heterocycles with P1-bicyclic arginine surrogates. Bioorg Med Chem Lett 12:2925-30 (2002) [PubMed]  Article 
Target
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:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50100972
Synonyms:
CHEMBL98152
Type:
Small organic molecule
Emp. Form.:
C27H29N5O2
Mol. Mass.:
455.5515
SMILES:
Cc1cnc(NCCc2ccc3CCCc3c2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1
Structure:
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