Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50103680
Substrate
n/a
Meas. Tech.
ChEBML_208865
IC50
8640.0±n/a nM
Citation
 Su, T; Wu, Y; Doughan, B; Kane-Maguire, K; Marlowe, CK; Kanter, JP; Woolfrey, J; Huang, B; Wong, P; Sinha, U; Park, G; Malinowski, J; Hollenbach, S; Scarborough, RM; Zhu, BY Design and synthesis of glycolic and mandelic acid derivatives as factor Xa inhibitors. Bioorg Med Chem Lett 11:2279-82 (2001) [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:
BDBM50103680
Synonyms:
CHEMBL75287 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-yl)-2-(3-carbamimidoyl-phenoxy)-2-phenyl-acetamide
Type:
Small organic molecule
Emp. Form.:
C27H23BrN4O4S
Mol. Mass.:
579.465
SMILES:
NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2Br)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity: