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Target
Prothrombin
Ligand
BDBM50214985
Substrate
n/a
Meas. Tech.
ChEMBL_456377 (CHEMBL907467)
IC50
27000±n/a nM
Citation
 Nagata, T; Yoshino, T; Haginoya, N; Yoshikawa, K; Isobe, Y; Furugohri, T; Kanno, H Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors. Bioorg Med Chem Lett 17:4683-8 (2007) [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:
BDBM50214985
Synonyms:
CHEMBL391804 | cis-N-(2-(5-chloro-1H-indole-2-carboxamido)cyclopentyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
Type:
Small organic molecule
Emp. Form.:
C22H24ClN5O2S
Mol. Mass.:
457.976
SMILES:
CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Structure:
Search PDB for entries with ligand similarity: