Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50073323
Substrate
n/a
Meas. Tech.
ChEBML_208548
IC50
1100±n/a nM
Citation
 Adang, AE; Lucas, H; de Man, AP; Engh, RA; Grootenhuis, PD Novel acylguanidine containing thrombin inhibitors with reduced basicity at the P1 moiety. Bioorg Med Chem Lett 8:3603-8 (1999) [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:
BDBM50073323
Synonyms:
CHEMBL121608 | {(R)-1-Cyclohexylmethyl-2-[(S)-2-(3-guanidino-3-oxo-propylcarbamoyl)-pyrrolidin-1-yl]-2-oxo-ethylamino}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C20H34N6O5
Mol. Mass.:
438.5212
SMILES:
NC(=N)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O
Structure:
Search PDB for entries with ligand similarity: