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TargetPlasma kallikrein
LigandBDBM50326021
Substrate/Competitorn/a
Meas. Tech.ChEMBL_655590 (CHEMBL1244634)
IC50 5707±n/a nM
Citation Heinis, C; Rutherford, T; Freund, S; Winter, G Phage-encoded combinatorial chemical libraries based on bicyclic peptides. Nat Chem Biol5:502-7 (2009) [PubMed]  Article
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:
BDBM50326021
n/a
NameBDBM50326021
Synonyms:CHEMBL1240699
TypeSmall organic molecule
Emp. Form.C86H123N23O23S4
Mol. Mass.1975.297
SMILESCSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)NCC(N)=O |r,wU:97.103,71.84,24.29,56.57,8.12,106.111,112.115,103.108,45.48,wD:92.96,85.87,51.52,33.42,60.68,16.20,4.4,126.131,(43.17,-16.52,;41.84,-15.75,;41.84,-14.21,;40.5,-13.44,;40.5,-11.91,;39.17,-11.13,;37.84,-11.9,;37.84,-13.44,;36.51,-11.13,;36.51,-9.59,;37.84,-8.82,;37.84,-7.28,;39.17,-9.59,;35.17,-11.9,;33.84,-11.14,;33.84,-9.59,;32.5,-11.91,;32.5,-13.45,;33.84,-14.22,;35.18,-13.44,;33.84,-15.75,;31.17,-11.13,;29.83,-11.9,;29.83,-13.44,;28.5,-11.13,;28.5,-9.59,;29.83,-8.81,;29.83,-7.28,;28.51,-6.5,;31.16,-6.5,;27.17,-11.91,;25.83,-11.15,;25.83,-9.61,;24.49,-11.92,;24.49,-13.45,;25.83,-14.22,;27.16,-13.45,;28.49,-14.22,;28.5,-15.76,;29.85,-16.53,;27.16,-16.53,;25.83,-15.77,;23.16,-11.14,;21.82,-11.9,;21.82,-13.44,;20.49,-11.13,;20.49,-9.59,;21.82,-8.82,;19.15,-11.9,;17.82,-11.13,;17.82,-9.59,;16.48,-11.9,;16.48,-13.43,;15.15,-11.13,;13.8,-11.89,;13.8,-13.42,;12.47,-11.12,;11.14,-11.9,;9.81,-11.13,;9.81,-9.58,;8.47,-11.9,;8.47,-13.44,;9.8,-14.21,;9.8,-15.74,;11.14,-16.51,;11.12,-18.05,;9.83,-18.83,;12.5,-18.84,;7.14,-11.13,;5.8,-11.88,;5.8,-13.42,;4.46,-11.11,;4.48,-9.56,;5.74,-8.69,;7.03,-9.53,;8.23,-8.57,;7.68,-7.13,;8.38,-5.75,;7.55,-4.46,;6.02,-4.54,;5.31,-5.91,;6.14,-7.2,;3.14,-11.9,;1.81,-11.13,;1.81,-9.59,;.56,-12.04,;.57,-13.58,;-.9,-14.06,;-1.81,-12.81,;-.9,-11.57,;-1.58,-10.19,;-.8,-8.86,;-3.12,-10.17,;-3.91,-11.5,;-3.88,-8.83,;-5.42,-8.8,;-6.2,-10.13,;-6.18,-7.45,;-5.39,-6.14,;-6.14,-4.79,;-7.71,-7.44,;-8.49,-8.77,;-7.74,-10.11,;-10.05,-8.75,;-10.78,-7.41,;-10.8,-10.08,;12.47,-9.57,;11.13,-8.8,;13.82,-8.81,;41.84,-11.13,;41.84,-9.59,;43.18,-11.9,;44.51,-11.13,;44.51,-9.58,;45.72,-8.64,;46.94,-9.58,;48.21,-8.7,;47.77,-7.23,;48.57,-5.91,;47.84,-4.56,;46.3,-4.52,;45.5,-5.83,;46.24,-7.19,;45.84,-11.9,;45.84,-13.43,;47.18,-11.13,;48.51,-11.9,;48.51,-13.44,;49.85,-14.21,;49.85,-11.13,;49.85,-9.59,;51.18,-11.9,;52.52,-11.13,;53.85,-11.91,;55.18,-11.13,;53.85,-13.44,)|
Structure
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