Reaction Details Report a problem with these data
Target
Urokinase-type plasminogen activator
Ligand
BDBM50326043
Substrate
n/a
Meas. Tech.
ChEMBL_655599 (CHEMBL1244643)
Ki
6700±n/a nM
Citation
 Heinis, C; Rutherford, T; Freund, S; Winter, G Phage-encoded combinatorial chemical libraries based on bicyclic peptides. Nat Chem Biol 5:502-7 (2009) [PubMed]  Article 
Target
Name:
Urokinase-type plasminogen activator
Synonyms:
PLAU | U-plasminogen activator | UROK_HUMAN | Urokinase | Urokinase-type plasminogen activator (uPA) | Urokinase-type plasminogen activator/surface receptor
Type:
Enzyme
Mol. Mass.:
48528.62
Organism:
Homo sapiens (Human)
Description:
P00749
Residue:
431
Sequence:
MRALLARLLLCVLVVSDSKGSNELHQVPSNCDCLNGGTCVSNKYFSNIHWCNCPKKFGGQHCEIDKSKTCYEGNGHFYRGKASTDTMGRPCLPWNSATVLQQTYHAHRSDALQLGLGKHNYCRNPDNRRRPWCYVQVGLKPLVQECMVHDCADGKKPSSPPEELKFQCGQKTLRPRFKIIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRCAQPSRTIQTICLPSMYNDPQFGTSCEITGFGKENSTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKEENGLAL
  
Inhibitor
Name:
BDBM50326043
Synonyms:
(2R,5S,8S,11S,14S,17S)-11-((1H-imidazol-5-yl)methyl)-17-((2S,8S,11S,14S,17R)-11-((1H-indol-3-yl)methyl)-17-amino-8-(3-guanidinopropyl)-14-(hydroxymethyl)-2-isobutyl-18-mercapto-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecanamido)-14-(2-amino-2-oxoethyl)-8-(3-guanidinopropyl)-2-(mercaptomethyl)-5-(2-(methylthio)ethyl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaicosane-1,20-dioic acid | CHEMBL1240678
Type:
Small organic molecule
Emp. Form.:
C60H94N22O17S3
Mol. Mass.:
1491.721
SMILES:
CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(O)=O |r,wU:37.43,19.26,69.82,4.4,89.92,wD:29.34,58.66,83.88,8.15,46.51,96.98,(29.98,-31.85,;28.63,-32.59,;28.61,-34.13,;27.26,-34.88,;27.23,-36.42,;25.89,-37.17,;24.57,-36.37,;24.59,-34.83,;23.22,-37.12,;23.19,-38.66,;24.51,-39.45,;24.49,-41,;25.81,-41.79,;25.78,-43.33,;24.43,-44.08,;27.11,-44.13,;21.9,-36.34,;20.55,-37.09,;20.53,-38.62,;19.23,-36.3,;19.25,-34.75,;20.48,-33.82,;21.96,-34.26,;22.83,-33,;21.91,-31.77,;20.45,-32.28,;17.88,-37.04,;16.56,-36.25,;16.59,-34.7,;15.21,-36.99,;15.18,-38.53,;16.51,-39.32,;17.86,-38.58,;16.48,-40.87,;13.89,-36.19,;12.54,-36.94,;12.52,-38.48,;11.23,-36.15,;11.25,-34.61,;12.6,-33.86,;12.62,-32.31,;11.3,-31.52,;13.98,-31.57,;9.88,-36.89,;8.56,-36.1,;8.58,-34.56,;7.2,-36.84,;7.18,-38.39,;8.5,-39.18,;8.48,-40.72,;9.85,-38.43,;5.88,-36.06,;4.53,-36.8,;4.5,-38.35,;3.21,-36.01,;1.87,-36.76,;.55,-35.96,;.58,-34.42,;-.8,-36.71,;-.83,-38.25,;.5,-39.05,;.47,-40.58,;1.78,-41.38,;1.77,-42.92,;.42,-43.67,;3.09,-43.72,;-2.12,-35.92,;-3.47,-36.66,;-3.49,-38.21,;-4.79,-35.87,;-4.77,-34.33,;-3.51,-33.44,;-2.25,-34.31,;-1.02,-33.38,;-1.52,-31.93,;-.78,-30.58,;-1.57,-29.26,;-3.12,-29.29,;-3.86,-30.64,;-3.07,-31.95,;-6.14,-36.62,;-7.45,-35.82,;-7.43,-34.27,;-8.81,-36.57,;-8.83,-38.1,;-7.52,-38.91,;-10.13,-35.78,;-11.48,-36.52,;-11.5,-38.05,;-12.8,-35.73,;-14.14,-36.47,;-12.77,-34.18,;-11.42,-33.43,;28.55,-37.22,;28.53,-38.76,;29.9,-36.47,;31.22,-37.26,;31.2,-38.81,;32.52,-39.59,;32.57,-36.52,;33.89,-37.31,;32.59,-34.97,)|
Structure:
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