Reaction Details Report a problem with these data
Target
Bombesin receptor subtype-3
Ligand
BDBM85491
Substrate
n/a
Ki
>10000±n/a nM
Comments
PDSP_1065
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 receptor subtype-3
Synonyms:
BRS-3 | BRS3 | BRS3_HUMAN | Bombesin 3 | Bombesin like receptor 3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44424.45
Organism:
Homo sapiens (Human)
Description:
Bombesin 3 BRS3 HUMAN::P32247
Residue:
399
Sequence:
MAQRQPHSPNQTLISITNDTESSSSVVSNDNTNKGWSGDNSPGIEALCAIYITYAVIISVGILGNAILIKVFFKTKSMQTVPNIFITSLAFGDLLLLLTCVPVDATHYLAEGWLFGRIGCKVLSFIRLTSVGVSVFTLTILSADRYKAVVKPLERQPSNAILKTCVKAGCVWIVSMIFALPEAIFSNVYTFRDPNKNMTFESCTSYPVSKKLLQEIHSLLCFLVFYIIPLSIISVYYSLIARTLYKSTLNIPTEEQSHARKQIESRKRIARTVLVLVALFALCWLPNHLLYLYHSFTSQTYVDPSAMHFIFTIFSRVLAFSNSCVNPFALYWLSKSFQKHFKAQLFCCKAERPEPPVADTSLTTLAVMGTVPGTGSIQMSEISVTSFTGCSVKQAEDRF
  
Inhibitor
Name:
BDBM85491
Synonyms:
Leu13,Psi(CH2NH),Leu14-BN
Type:
Small organic molecule
Emp. Form.:
C72H114N24O17
Mol. Mass.:
1587.8262
SMILES:
CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)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](CC(N)=O)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 |wU:84.94,76.83,4.14,7.6,32.33,55.63,18.25,wD:95.103,41.54,64.71,104.106,36.37,(30.24,-14.64,;28.74,-14.96,;28.26,-16.42,;27.71,-13.81,;26.2,-14.13,;25.72,-15.59,;24.22,-15.91,;23.74,-17.37,;24.77,-18.52,;24.29,-19.98,;25.32,-21.13,;22.95,-20.75,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-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,;7.42,-7.18,;8.32,-8.42,;7.42,-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,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.61,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,)|
Structure:
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