Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50224702
Substrate
n/a
Meas. Tech.
ChEMBL_458334 (CHEMBL941668)
Ki
>6300±n/a nM
Citation
 Varnes, JG; Wacker, DA; Jacobson, IC; Quan, ML; Ellis, CD; Rossi, KA; He, MY; Luettgen, JM; Knabb, RM; Bai, S; He, K; Lam, PY; Wexler, RR Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors. Bioorg Med Chem Lett 17:6481-8 (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:
BDBM50224702
Synonyms:
2-(1-(1-(3-aminobenzo[d]isoxazol-5-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-yl)benzenesulfonamide | CHEMBL399330
Type:
Small organic molecule
Emp. Form.:
C28H23F3N6O4S
Mol. Mass.:
596.58
SMILES:
Nc1noc2ccc(cc12)-n1nc(cc1C(=O)N1CCCCc2cc(ccc12)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: