Reaction Details Report a problem with these data
Target
Bombesin
Ligand
BDBM85489
Substrate
n/a
Ki
2506±n/a nM
Comments
PDSP_744
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:
BDBM85489
Synonyms:
DPhe6,12,Leu14-Bn
Type:
Small organic molecule
Emp. Form.:
C80H117N21O17
Mol. Mass.:
1644.9155
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)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](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:86.97,78.86,8.12,4.4,31.32,54.62,16.24,63.74,wD:97.106,40.53,106.109,35.36,(25.32,-21.13,;24.29,-19.99,;22.8,-20.38,;24.77,-18.52,;23.74,-17.38,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.25,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;26.61,-7.05,;27.94,-6.28,;29.28,-7.05,;29.28,-8.59,;27.94,-9.36,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.05,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.43,-7.18,;8.32,-8.42,;7.43,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;5.22,4.8,;3.89,5.57,;2.56,4.8,;2.56,3.26,;3.89,2.49,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.68,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.75,6.63,;16.25,6.95,;17.28,5.8,;16.73,8.41,;14.2,9.24,;13.17,10.38,;11.66,10.07,;13.65,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.62,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.1,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.12,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.22,;10.01,17.9,;12,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.6,;13.46,20.15,;17.5,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)|
Structure:
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