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TargetKallikrein 2
LigandBDBM50326050
Substrate/Competitorn/a
Meas. Tech.ChEMBL_655598
IC50 3400±n/a nM
Citation Heinis CRutherford TFreund SWinter G Phage-encoded combinatorial chemical libraries based on bicyclic peptides. Nat Chem Biol 5:502-7 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Kallikrein 2
Name:Kallikrein 2
Synonyms:Glandular kallikrein-1 | Kallikrein-2 | Tissue kallikrein-2 | hGK-1
Type:PROTEIN
Mol. Mass.:28673.68
Organism:Homo sapiens (Human)
Description:ChEMBL_862797
Residue:261
Sequence:
MWDLVLSIALSVGCTGAVPLIQSRIVGGWECEKHSQPWQVAVYSHGWAHCGGVLVHPQWV
LTAAHCLKKNSQVWLGRHNLFEPEDTGQRVPVSHSFPHPLYNMSLLKHQSLRPDEDSSHD
LMLLRLSEPAKITDVVKVLGLPTQEPALGTTCYASGWGSIEPEEFLRPRSLQCVSLHLLS
NDMCARAYSEKVTEFMLCAGLWTGGKDTCGGDSGGPLVCNGVLQGITSWGPEPCALPEKP
AVYTKVVHYRKWIKDTIAANP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50326050
n/a
NameBDBM50326050
Synonyms:CHEMBL1240617
TypeSmall organic molecule
Emp. Form.C66H88N16O12
Mol. Mass.1297.5049
SMILESCC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:78.83,3.3,38.39,59.61,16.24,wD:73.78,45.45,27.35,7.12,83.87,(16.62,-15.91,;15.28,-16.68,;13.95,-15.91,;15.28,-18.23,;13.95,-18.99,;12.61,-18.23,;12.61,-16.7,;11.28,-19,;11.28,-20.54,;12.61,-21.31,;12.61,-22.86,;13.93,-23.62,;13.94,-25.16,;9.95,-18.22,;8.61,-18.99,;8.61,-20.53,;7.28,-18.22,;7.28,-16.68,;8.61,-15.91,;9.95,-16.69,;11.28,-15.92,;11.29,-14.38,;9.95,-13.61,;8.62,-14.37,;5.94,-18.98,;4.6,-18.23,;4.6,-16.69,;3.27,-19,;3.27,-20.54,;4.6,-21.32,;4.6,-22.85,;5.94,-23.6,;5.94,-25.14,;4.6,-25.92,;7.27,-25.9,;1.95,-18.22,;.61,-18.99,;.61,-20.53,;-.72,-18.22,;-2.04,-18.97,;-.72,-16.68,;.62,-15.89,;16.62,-18.99,;16.62,-20.53,;17.95,-18.22,;19.28,-19,;19.28,-20.54,;20.56,-21.41,;22,-20.88,;22.94,-22.1,;22.08,-23.38,;22.45,-24.87,;21.33,-25.95,;19.85,-25.51,;19.48,-24.02,;20.6,-22.96,;20.61,-18.23,;20.61,-16.7,;21.95,-18.99,;23.29,-18.22,;23.29,-16.69,;24.51,-15.74,;25.76,-16.65,;27.01,-15.74,;26.53,-14.28,;27.29,-12.94,;26.53,-11.61,;24.99,-11.61,;24.21,-12.94,;24.98,-14.28,;24.62,-18.99,;24.62,-20.54,;25.96,-18.23,;27.29,-19,;27.29,-20.54,;28.62,-18.24,;28.62,-16.69,;29.96,-18.99,;31.29,-18.22,;31.29,-16.68,;32.63,-18.99,;32.63,-20.53,;33.96,-18.22,;35.3,-18.99,;35.3,-20.53,;36.63,-21.31,;37.97,-20.54,;39.3,-21.31,;39.3,-22.85,;37.96,-23.62,;36.63,-22.85,;36.63,-18.22,;37.97,-18.99,;36.63,-16.69,)|
Structure
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