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Target
Gastrin-releasing peptide receptor
Ligand
BDBM50279041
Substrate
n/a
Meas. Tech.
ChEMBL_545065 (CHEMBL1017181)
IC50
0.59±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:
BDBM50279041
Synonyms:
(2S)-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-43-imino-8,35-diisobutyl-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-(6-(2-(2-(2-aminoacetamido)acetamido)-3-mercaptopropanamido)hexanamido)pentanediamide | CHEMBL524880
Type:
Small organic molecule
Emp. Form.:
C79H127N27O20S2
Mol. Mass.:
1839.153
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](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCNC(=O)C(CS)NC(=O)CNC(=O)CN)C(C)C)C(N)=O |r,wU:34.35,82.92,8.12,53.61,wD:93.101,39.52,74.81,30.31,62.69,16.23,4.4,(45,-28.45,;43.67,-27.66,;43.68,-26.13,;42.36,-25.34,;42.37,-23.8,;41.04,-23.02,;39.7,-23.78,;39.69,-25.32,;38.37,-23,;38.39,-21.46,;39.73,-20.7,;39.74,-19.16,;41.05,-21.48,;37.03,-23.76,;35.7,-22.98,;35.72,-21.44,;34.36,-23.74,;34.35,-25.28,;35.68,-26.06,;37.1,-25.45,;38.11,-26.6,;37.33,-27.93,;35.83,-27.6,;33.03,-22.97,;31.69,-23.72,;31.67,-25.27,;30.35,-22.95,;29.01,-23.7,;27.68,-22.93,;27.69,-21.39,;26.34,-23.68,;25.01,-22.91,;23.67,-23.66,;23.65,-25.2,;22.34,-22.89,;22.35,-21.35,;21,-23.65,;19.67,-22.86,;19.68,-21.33,;18.33,-23.62,;18.32,-25.16,;19.64,-25.95,;21.06,-25.32,;22.08,-26.48,;21.31,-27.81,;21.76,-29.28,;20.72,-30.42,;19.22,-30.09,;18.76,-28.62,;19.8,-27.48,;17,-22.84,;15.66,-23.6,;15.65,-25.14,;14.33,-22.82,;14.34,-21.28,;15.69,-20.51,;15.7,-18.97,;14.36,-18.2,;17.04,-18.22,;12.99,-23.58,;11.66,-22.8,;11.67,-21.26,;10.32,-23.55,;10.31,-25.1,;11.64,-25.88,;12.97,-25.12,;11.62,-27.42,;8.99,-22.78,;7.65,-23.54,;7.63,-25.08,;6.31,-22.77,;4.97,-23.52,;3.63,-22.76,;3.64,-21.21,;2.29,-23.51,;2.28,-25.06,;3.61,-25.84,;3.59,-27.38,;4.95,-25.08,;.97,-22.72,;-.37,-23.48,;-.39,-25.02,;-1.7,-22.7,;-1.69,-21.16,;-.35,-20.39,;-.34,-18.86,;1,-18.09,;1.02,-16.55,;-.29,-15.77,;2.36,-15.79,;-3.04,-23.46,;-4.38,-22.7,;-4.37,-21.17,;-5.71,-23.46,;-5.72,-25,;-4.4,-25.78,;-4.41,-27.32,;-3.08,-28.1,;-5.75,-28.08,;-7.03,-22.68,;-8.37,-23.45,;-8.37,-24.99,;-9.71,-22.68,;-11.05,-23.45,;-12.39,-22.68,;-13.74,-23.45,;-15.08,-22.68,;-16.43,-23.45,;-17.76,-22.68,;-17.76,-21.14,;-19.09,-23.46,;-19.1,-25,;-20.44,-25.78,;-20.42,-22.69,;-21.2,-21.35,;-20.42,-20.01,;-22.75,-21.35,;-23.52,-22.69,;-24.87,-23.45,;-26.22,-22.66,;-24.89,-25,;-23.56,-25.79,;26.33,-25.23,;27.66,-26.01,;24.99,-25.99,;43.71,-23.04,;45.04,-23.82,;43.72,-21.5,)|
Structure:
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