Reaction Details Report a problem with these data
Target
Bombesin
Ligand
BDBM85497
Substrate
n/a
Ki
32±n/a nM
Comments
PDSP_280
Citation
 Katsuno, T; Pradhan, TK; Ryan, RR; Mantey, SA; Hou, W; Donohue, PJ; Akeson, MA; Spindel, ER; Battey, JF; Coy, DH; Jensen, RT Pharmacology and cell biology of the bombesin receptor subtype 4 (BB4-R). Biochemistry 38:7307-20 (1999) [PubMed]  Article 
Target
Name:
Bombesin
Synonyms:
BOMB_BOMVA | Bombesin 4
Type:
Enzyme Catalytic Domain
Mol. Mass.:
12340.04
Organism:
Frog
Description:
Bombesin 4 0 Frog::P84213
Residue:
107
Sequence:
MSAIPLNRILPLGFLLIFSFISLSSCMEFVEDPNNQGGLNLQQRLGNQWAVGHLMGKKSLQDTDFEEMESFAKRNVENMKAESERELRHAQLVVRNILEQYLKNMQN
  
Inhibitor
Name:
BDBM85497
Synonyms:
Alytesin | CAS_31078-12-3
Type:
Small organic molecule
Emp. Form.:
C68H106N22O17S
Mol. Mass.:
1535.771
SMILES:
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(C)C)C(N)=O |wU:99.104,8.12,53.61,4.4,30.31,16.23,wD:70.77,39.52,78.88,62.65,93.95,34.35,(25.85,-22.32,;26.33,-20.86,;25.3,-19.71,;25.78,-18.25,;24.75,-17.1,;25.23,-15.64,;26.74,-15.32,;27.76,-16.46,;27.21,-13.85,;28.72,-13.54,;29.75,-14.68,;31.26,-14.37,;29.27,-16.15,;26.19,-12.71,;26.66,-11.24,;28.17,-10.93,;25.64,-10.1,;26.11,-8.63,;27.62,-8.32,;28.76,-9.35,;30.1,-8.58,;29.78,-7.07,;28.25,-6.91,;24.13,-10.42,;23.1,-9.27,;23.58,-7.81,;21.59,-9.59,;20.56,-8.44,;19.06,-8.76,;18.58,-10.22,;18.03,-7.61,;16.52,-7.93,;15.49,-6.78,;15.97,-5.32,;13.99,-7.1,;13.51,-8.57,;12.96,-5.96,;11.45,-6.27,;10.97,-7.74,;10.42,-5.13,;8.92,-5.44,;8.44,-6.91,;9.34,-8.15,;8.44,-9.39,;6.98,-8.92,;5.65,-9.69,;4.31,-8.92,;4.31,-7.38,;5.65,-6.61,;6.98,-7.38,;10.9,-3.66,;9.87,-2.52,;8.37,-2.83,;10.35,-1.05,;11.86,-.73,;12.34,.73,;13.84,1.05,;14.32,2.51,;14.87,-.1,;9.32,.09,;9.8,1.56,;11.31,1.88,;8.77,2.7,;9.25,4.17,;8.22,5.31,;6.72,5,;8.7,6.78,;7.67,7.92,;8.15,9.39,;9.66,9.71,;7.12,10.53,;5.62,10.22,;4.59,11.36,;3.08,11.05,;5.07,12.83,;7.6,12,;9.11,12.32,;10.14,11.17,;9.59,13.78,;8.56,14.93,;9.04,16.39,;8.01,17.54,;8.49,19,;7.46,20.15,;7.94,21.61,;5.95,19.83,;11.09,14.1,;11.57,15.56,;10.54,16.71,;13.08,15.88,;13.56,17.34,;15.06,17.66,;16.09,16.51,;15.54,19.12,;14.64,20.37,;15.55,21.62,;17.01,21.14,;18.26,22.04,;17.01,19.6,;7.27,2.39,;6.79,.92,;6.24,3.53,;18.51,-6.15,;20.01,-5.83,;17.48,-5,;23.24,-17.42,;22.76,-18.88,;22.21,-16.27,)|
Structure:
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