Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50139749
Substrate
n/a
Meas. Tech.
ChEMBL_208309 (CHEMBL812829)
Ki
4.1±n/a nM
Citation
 Maryanoff, BE Inhibitors of serine proteases as potential therapeutic agents: the road from thrombin to tryptase to cathepsin G. J Med Chem 47:769-87 (2004) [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:
BDBM50139749
Synonyms:
CHEMBL434870 | N-[3-[3-amino(imino)methylaminopropyl]-7-benzyl-10-(4-hydroxybenzyl)-1,4,5,8,14,18-hexaoxo-(3S,7R,10S,17S,22aS)-1,2,3,4,5,6,7,8,9,10,13,14,15,16,17,18,20,21-octadecahydropyrrolo[2,1-j][1,4,8,11,15]pentaazacycloicosin-17-yl]methanamide
Type:
Small organic molecule
Emp. Form.:
C36H45N9O8
Mol. Mass.:
731.798
SMILES:
NC(=N)NCCC[C@@H]1NC(=O)C2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C1=O)NC=O |t:24|
Structure:
Search PDB for entries with ligand similarity: