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Target
Prothrombin
Ligand
BDBM50098211
Substrate
n/a
Meas. Tech.
ChEMBL_209071 (CHEMBL809537)
IC50
900±n/a nM
Citation
 Zhang, HC; Derian, CK; Andrade-Gordon, P; Hoekstra, WJ; McComsey, DF; White, KB; Poulter, BL; Addo, MF; Cheung, WM; Damiano, BP; Oksenberg, D; Reynolds, EE; Pandey, A; Scarborough, RM; Maryanoff, BE Discovery and optimization of a novel series of thrombin receptor (par-1) antagonists: potent, selective peptide mimetics based on indole and indazole templates. J Med Chem 44:1021-4 (2001) [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:
BDBM50098211
Synonyms:
(S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-1-ylmethyl-1H-indol-6-yl]-ureido}-3-(4-methoxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid benzylamide | 1-(1-(2,6-dichlorobenzyl)-3-(pyrrolidin-1-ylmethyl)-1H-indol-6-yl)-3-((S)-1-((S)-1-(benzylamino)-5-guanidino-1-oxopentan-2-ylamino)-3-(4-methoxyphenyl)-1-oxopropan-2-yl)urea | 2-[2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-1-ylmethyl-1H-indol-6-yl]-ureido}-3-(4-methoxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid benzylamide | CHEMBL7610 | RWJ-54003
Type:
Small organic molecule
Emp. Form.:
C44H51Cl2N9O4
Mol. Mass.:
840.84
SMILES:
[#6]-[#8]-c1ccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-c2ccc3c(-[#6]-[#7]-4-[#6]-[#6]-[#6]-[#6]-4)cn(-[#6]-c4c(Cl)cccc4Cl)c3c2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-c2ccccc2)cc1 |r|
Structure:
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