BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPlasma kallikrein
LigandBDBM416885
Substrate/Competitorn/a
Meas. Tech.Plasma Kallikrein Activity Assay
Ki 25.1±n/a nM
Citation Kotian, PLBabu, YSWu, MChintareddy, VRKumar, VSZhang, W Human plasma kallikrein inhibitors US Patent US11685721 Publication Date 6/27/2023
More Info.:Get all data from this article,  Assay Method
 
Plasma kallikrein
Name:Plasma kallikrein
Synonyms:Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein
Type:Protein
Mol. Mass.:71391.16
Organism:Homo sapiens (Human)
Description:P03952
Residue:638
Sequence:
MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLF
SFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVD
MRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIK
VLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFF
TFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGV
DFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRI
AYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCG
GSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEG
NHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNI
PLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGE
GCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM416885
n/a
NameBDBM416885
Synonyms:1-(3-(aminomethyl)phenyl)-N-(5-((3-(aminomethyl)phenyl)(cyclopropylmethylamino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | US10329260, Compound 155c | US10633345, Compound 155c | US10689346, Compound 155c | US11203574, Compound 155c | US11230530, Compound 155c | US11685721, Compound 155c | US11708332, Compound 155c
TypeSmall organic molecule
Emp. Form.C30H30F4N6O
Mol. Mass.566.5924
SMILESNCc1cccc(c1)C(NCC1CC1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: