Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50288458
Substrate
n/a
Meas. Tech.
ChEBML_208327
Ki
163±n/a nM
Citation
 Greco, MN; Powell, ET; Hecker, LR; Andrade-Gordon, P; Kauffman, JA; Lewis, JM; Ganesh, V; Tulinsky, A; Maryanoff, BE Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif Bioorg Med Chem Lett 6:2947-2952 (1996)    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:
BDBM50288458
Synonyms:
CHEMBL431429 | N-[3-((5S,18R,20aR)-4,7,16,17,20-Pentaoxo-5-phenyl-icosahydro-3a,6,15,19-tetraaza-cyclopentacyclononadecen-18-yl)-propyl]-guanidine
Type:
Small organic molecule
Emp. Form.:
C28H41N7O5
Mol. Mass.:
555.669
SMILES:
NC(=N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)C1=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: