BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPlasma kallikrein
LigandBDBM416981
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 US11708332 Publication Date 7/25/2023
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:
BDBM416981
n/a
NameBDBM416981
Synonyms:(+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | US10329260, Compound 208d | US10633345, Compound 209d | US10689346, Compound 209d | US11203574, Compound 209d | US11230530, Compound 209d | US11685721, Compound 209d | US11708332, Compound 209d
TypeSmall organic molecule
Emp. Form.C29H28F4N6O
Mol. Mass.552.5658
SMILESNCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccnc1)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: