Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50069294
Substrate
n/a
Meas. Tech.
ChEBML_208526
Ki
0.400000±n/a nM
Citation
 Lee, K; Jung, WH; Hwang, SY; Lee, SH Fluorobenzamidrazone thrombin inhibitors: influence of fluorine on enhancing oral absorption. Bioorg Med Chem Lett 9:2483-6 (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:
BDBM50069294
Synonyms:
(S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopentyl-N-methyl-2-(naphthalene-2-sulfonylamino)-propionamide | (S)-5-(4-Methylamino-phenyl)-2-(5,6,7,8-tetrahydro-naphthalene-2-sulfonylamino)-pent-4-ynoic acid cyclopentylamide | 1N-cyclopentyl-1N-methyl-3-(4-Carbohydrazonamidephenyl)-2-(2-naphthylsulfonamido)-(2S)-propanamide | 1N-cyclopentyl-3-[4-amino(aminoimino)methylphenyl]-2-(2-naphthylsulfinamido)propanamide | Benzamidrazone analogue | CHEMBL7962 | N-methyl-N-cyclopentyl-3-(4-hydrazonoformamidephenyl)-2-[(2-naphthylsulfonyl)amino]propanamide
Type:
Small organic molecule
Emp. Form.:
C26H31N5O3S
Mol. Mass.:
493.621
SMILES:
CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21|
Structure:
Search PDB for entries with ligand similarity: