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TargetProthrombin
LigandBDBM50062631
Substrate/Competitorn/a
Meas. Tech.ChEMBL_208876 (CHEMBL814934)
IC50 5±n/a nM
Citation Brady, SFStauffer, KJLumma, WCSmith, GMRamjit, HGLewis, SDLucas, BJGardell, SJLyle, EAAppleby, SDCook, JJHolahan, MAStranieri, MTLynch, JJLin, JHChen, IWVastag, KNaylor-Olsen, AMVacca, JP Discovery and development of the novel potent orally active thrombin inhibitor N-(9-hydroxy-9-fluorenecarboxy)prolyl trans-4-aminocyclohexylmethyl amide (L-372,460): coapplication of structure-based design and rapid multiple analogue synthesis on solid support. J Med Chem41:401-6 (1998) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Prothrombin
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:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC
VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV
NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE
CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA
QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG
DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI
DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN
DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP
VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST
RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY
GFYTHVFRLKKWIQKVIDQFGE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50062631
n/a
NameBDBM50062631
Synonyms:(S)-1-(3-Phenyl-heptanoyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide | CHEMBL334727
TypeSmall organic molecule
Emp. Form.C25H39N3O2
Mol. Mass.413.5961
SMILESCCCCC(CC(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1)c1ccccc1 |wU:12.13,(-.6,-12.34,;.31,-11.1,;1.84,-11.24,;2.74,-10,;4.27,-10.15,;4.9,-11.56,;6.43,-11.72,;7.05,-13.13,;7.34,-10.47,;6.71,-8.91,;8.11,-8.11,;9.35,-9.01,;8.88,-10.47,;9.77,-11.72,;9.15,-13.13,;11.31,-11.56,;11.93,-10.16,;11.52,-8.67,;12.71,-7.34,;11.41,-5.69,;11.43,-4.24,;11.99,-2.8,;10.24,-5.57,;11.52,-7.13,;5.17,-8.91,;3.83,-8.16,;3.83,-6.6,;5.16,-5.84,;6.49,-6.6,;6.5,-8.13,)|
Structure
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