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Reaction Details
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TargetSerine protease 1
LigandBDBM12597
Substrate/CompetitorBDBM12500
Meas. Tech.Enzyme Assay and Determination of the Inhibition Constants.
pH7.5±n/a
Temperature295.15±n/a K
Ki 69±n/a nM
Citation Maignan, SGuilloteau, JPChoi-Sledeski, YMBecker, MREwing, WRPauls, HWSpada, APMikol, V Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket. J Med Chem46:685-90 (2003) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Serine protease 1
Name:Serine protease 1
Synonyms:Beta-Trypsin | Cationic trypsin | Trypsin | Trypsin I
Type:Enzyme
Mol. Mass.:25790.52
Organism:Bos taurus (bovine)
Description:P00760
Residue:246
Sequence:
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVS
AAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLN
SRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQIT
SNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIK
QTIASN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM12597
NameBDBM12597
Synonyms:CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[amino(imino)methyl]benzyl}-3-({[3-(aminomethyl)-1,1-biphenyl-4-yl]carbonyl}amino)butanoate | methyl (2R,3R)-3-({4-[3-(aminomethyl)phenyl]phenyl}formamido)-2-[(3-carbamimidoylphenyl)methyl]butanoate
TypeSmall organic molecule
Emp. Form.C27H30N4O3
Mol. Mass.458.5521
SMILESCOC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN)c1 |r|
Structure
BDBM12500
NameBDBM12500
Synonyms:Cbz-D-Arg-Gly-L-Arg-pNA | Chromogenic Substrate S-2765 | N-a-Benzyloxycarbonyl-Darginyl-L-glycyl-L-arginine-pnitroaniline | N-alpha-Z-D-Arg-Gly-Arg-p-nitroanilide | benzyl N-[(1R)-4-carbamimidamido-1-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]butyl]carbamate
TypeSmall organic molecule
Emp. Form.C28H39N11O7
Mol. Mass.641.6788
SMILES[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7+]=[#6](-[#7])-[#7-])-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r,w:30.30|
Structure