Reaction Details
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Prothrombin
Ligand
BDBM50269528
Substrate
n/a
Meas. Tech.
ChEMBL_550798 (CHEMBL995665)
IC50
130±n/a nM
Citation
O'Neill, MJ; Lewis, JA; Noble, HM; Holland, S; Mansat, C; Farthing, JE; Foster, G; Noble, D; Lane, SJ; Sidebottom, PJ; Lynn, SM; Hayes, MV; Dix, CJ Isolation of translactone-containing triterpenes with thrombin inhibitory activities from the leaves of Lantana camara. J Nat Prod 61:1328-31 (1999) [PubMed] Article More Info.:
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:
BDBM50269528
Synonyms:
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4S,7R,8S,9S,10S,12R,13R,16R,17S,18R)-16-(acetyloxy)-10-hydroxy-2-(hydroxymethyl)-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-1(20)-ene-17-carboxylate | CHEMBL506715
Type:
Small organic molecule
Emp. Form.:
C38H54O14
Mol. Mass.:
734.827
SMILES:
[#6]-[#6](=O)-[#8]-[#6@@H]1-[#6]-[#6][C@]2([#6])[#6@H]-3-[#6]-[#6@H](-[#8])[C@@]4([#6])[#6@H]-5-[#6@H](-[#6][C@]4([#6]-[#8])[#6]-3=[#6]-[#6]-[#6@H]2[C@]1([#6])[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])-[#8]-[#6](=O)-[#6@@H]-5-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6] |r,c:23|
Structure:
