Reaction Details Report a problem with these data
Target
Gastrin-releasing peptide
Ligand
BDBM86499
Substrate
n/a
Ki
0.36±n/a nM
Comments
PDSP_409
Citation
 Mantey, SA; Coy, DH; Entsuah, LK; Jensen, RT Development of bombesin analogs with conformationally restricted amino acid substitutions with enhanced selectivity for the orphan receptor human bombesin receptor subtype 3. J Pharmacol Exp Ther 310:1161-70 (2004) [PubMed]  Article 
Target
Name:
Gastrin-releasing peptide
Synonyms:
GRP | GRP_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
16223.81
Organism:
Homo sapiens (Human)
Description:
Gastrin-Releasing peptide 0 HUMAN::P07492
Residue:
148
Sequence:
MRGRELPLVLLALVLCLAPRGRAVPLPAGGGTVLTKMYPRGNHWAVGHLMGKKSTGESSSVSERGSLKQQLREYIRWEEAARNLLGLIEAKENRNHQPPQPKALGNQQPSWDSEDSSNFKDVGSKGKVGRLSAPGSQREGRNPQLNQQ
  
Inhibitor
Name:
BDBM86499
Synonyms:
Bombesin | CAS_5490336 | Pyr-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-Gly-His-Leu-Met-NH2
Type:
Small organic molecule
Emp. Form.:
C71H110N24O18S
Mol. Mass.:
1619.848
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)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |r,wU:53.61,34.35,8.12,82.92,wD:39.52,30.31,62.69,16.23,74.81,4.4,93.101,102.104,(26.12,-4.99,;27.44,-4.18,;27.44,-2.62,;26.09,-1.86,;26.09,-.32,;24.73,.42,;23.38,-.32,;23.4,-1.88,;22.06,.39,;22.03,1.92,;23.36,2.71,;24.73,1.95,;23.33,4.29,;20.69,-.35,;19.37,.37,;19.34,1.9,;18.02,-.37,;18.02,-1.92,;19.39,-2.69,;20.78,-2.04,;21.85,-3.22,;21.08,-4.57,;19.55,-4.2,;16.68,.35,;15.33,-.39,;15.35,-1.92,;13.99,.32,;12.66,-.42,;11.3,.3,;11.27,1.86,;9.97,-.44,;8.63,.28,;7.26,-.46,;7.28,-1.99,;5.94,.25,;5.94,1.81,;4.59,-.49,;3.27,.25,;3.27,1.79,;1.95,-.49,;1.97,-2.02,;3.27,-2.78,;4.57,-1.97,;5.78,-2.95,;5.22,-4.38,;5.94,-5.78,;5.08,-7.1,;3.53,-7.03,;2.81,-5.61,;3.66,-4.27,;.58,.23,;-.7,-.51,;-.7,-2.06,;-2.06,.21,;-2.06,1.76,;-.74,2.55,;-.74,4.13,;.53,4.92,;-2.11,4.89,;-3.39,-.53,;-4.71,.19,;-4.73,1.72,;-6.05,-.56,;-6.05,-2.09,;-4.69,-2.88,;-3.36,-2.06,;-4.66,-4.43,;-7.42,.16,;-8.77,-.58,;-8.74,-2.11,;-10.11,.14,;-11.41,-.63,;-12.78,.12,;-12.8,1.65,;-14.1,-.65,;-14.08,-2.18,;-12.76,-2.95,;-11.41,-2.16,;-12.73,-4.52,;-15.47,.12,;-16.82,-.67,;-16.79,-2.23,;-18.14,.09,;-18.16,1.6,;-16.84,2.39,;-16.86,3.94,;-15.49,4.75,;-15.52,6.31,;-16.89,7.07,;-14.15,7.1,;-19.48,-.7,;-20.83,.07,;-20.83,1.58,;-22.17,-.72,;-22.15,-2.27,;-20.81,-3.04,;-20.81,-4.62,;-19.44,-5.36,;-22.13,-5.38,;-23.54,.05,;-24.89,-.74,;-24.89,-2.3,;-26.21,.02,;-25.24,-1.09,;-25.96,-2.57,;-27.46,-2.25,;-28.76,-3.04,;-27.46,-.74,;9.97,-1.97,;11.32,-2.76,;8.65,-2.76,;27.42,.42,;28.76,-.3,;27.39,1.97,)|
Structure:
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