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Target
Gastrin-releasing peptide receptor
Ligand
BDBM50279043
Substrate
n/a
Meas. Tech.
ChEMBL_545065 (CHEMBL1017181)
IC50
1.24±n/a nM
Citation
 Gourni, E; Bouziotis, P; Benaki, D; Loudos, G; Xanthopoulos, S; Paravatou-Petsotas, M; Mavri-Vavagianni, M; Pelecanou, M; Archimandritis, SC; Varvarigou, AD Structural assessment and biological evaluation of two N3S bombesin derivatives. J Med Chem 52:4234-46 (2009) [PubMed]  Article 
Target
Name:
Gastrin-releasing peptide receptor
Synonyms:
Bombesin 2 | GRP-R | GRP-preferring bombesin receptor | GRPR | GRPR_HUMAN | Gastrin releasing peptide receptor | Gastrin-releasing peptide receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
43214.53
Organism:
Homo sapiens (Human)
Description:
Bombesin 2 GRPR 0::P30550
Residue:
384
Sequence:
MALNDCFLLNLEVDHFMHCNISSHSADLPVNDDWSHPGILYVIPAVYGVIILIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLITCAPVDASRYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAAFIWIISMLLAIPEAVFSDLHPFHEESTNQTFISCAPYPHSNELHPKIHSMASFLVFYVIPLSIISVYYYFIAKNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFVTSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPGLIIRSHSTGRSTTCMTSLKSTNPSVATFSLINGNICHERYV
  
Inhibitor
Name:
BDBM50279043
Synonyms:
(S)-N1-((5S,8S,11S,17S,20S,23S,26S,29S,35S,38S)-11-((1H-imidazol-5-yl)methyl)-23-((1H-indol-3-yl)methyl)-43-amino-29-(2-amino-2-oxoethyl)-26-(3-amino-3-oxopropyl)-5-carbamoyl-35-((R)-1-hydroxyethyl)-43-imino-8-isobutyl-17-isopropyl-20-methyl-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-2-thia-6,9,12,15,18,21,24,27,30,33,36,42-dodecaazatritetracontan-38-yl)-2-((S)-5-oxopyrrolidine-2-carboxamido)pentanediamide | CHEMBL525820
Type:
Small organic molecule
Emp. Form.:
C69H106N24O19S
Mol. Mass.:
1607.794
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](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(C)C)C(N)=O |r,wU:34.35,78.88,8.12,53.61,98.100,104.109,wD:89.97,39.52,74.77,30.31,62.69,16.23,4.4,(53.85,-12.22,;52.52,-11.43,;52.53,-9.89,;51.2,-9.11,;51.21,-7.57,;49.88,-6.79,;48.54,-7.55,;48.53,-9.09,;47.22,-6.77,;47.23,-5.23,;48.58,-4.46,;48.59,-2.93,;49.9,-5.25,;45.88,-7.53,;44.55,-6.75,;44.56,-5.21,;43.21,-7.51,;43.2,-9.05,;44.53,-9.83,;45.94,-9.22,;46.96,-10.37,;46.18,-11.7,;44.68,-11.36,;41.88,-6.74,;40.53,-7.49,;40.52,-9.03,;39.2,-6.72,;37.86,-7.47,;36.53,-6.7,;36.54,-5.15,;35.19,-7.45,;33.86,-6.68,;32.52,-7.43,;32.5,-8.97,;31.18,-6.66,;31.2,-5.12,;29.84,-7.41,;28.52,-6.63,;28.52,-5.09,;27.18,-7.39,;27.17,-8.93,;28.49,-9.72,;29.9,-9.09,;30.92,-10.25,;30.16,-11.58,;30.61,-13.05,;29.57,-14.19,;28.06,-13.86,;27.6,-12.39,;28.65,-11.25,;25.85,-6.61,;24.51,-7.36,;24.49,-8.9,;23.17,-6.59,;23.19,-5.05,;24.54,-4.28,;24.54,-2.74,;23.21,-1.97,;25.89,-1.98,;21.83,-7.35,;20.5,-6.57,;20.52,-5.02,;19.16,-7.32,;19.15,-8.87,;20.48,-9.65,;21.81,-8.89,;20.47,-11.19,;17.83,-6.55,;16.49,-7.3,;16.48,-8.85,;15.16,-6.53,;13.82,-7.29,;12.47,-6.53,;12.49,-4.98,;11.14,-7.28,;9.81,-6.49,;8.47,-7.24,;8.46,-8.78,;7.15,-6.47,;7.16,-4.93,;8.49,-4.16,;8.51,-2.62,;9.85,-1.86,;9.87,-.32,;8.55,.47,;11.2,.44,;5.81,-7.23,;4.47,-6.47,;4.47,-4.93,;3.14,-7.23,;3.12,-8.77,;4.45,-9.55,;4.43,-11.09,;5.76,-11.87,;3.09,-11.85,;1.81,-6.44,;.47,-7.2,;.45,-8.74,;-.85,-6.41,;-1,-4.88,;-2.51,-4.54,;-3.29,-5.87,;-4.82,-6.01,;-2.27,-7.03,;11.12,-8.83,;12.45,-9.6,;9.78,-9.59,;35.17,-9,;36.51,-9.78,;33.83,-9.76,;52.56,-6.81,;53.88,-7.59,;52.57,-5.27,)|
Structure:
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