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Ligand

NamePX9AZU7QPK
Molecular formulaC71H110N24O18S
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanediamide
Molecular weight1619.87
Hydrogen bond acceptor21
Hydrogen bond donor23
XlogP-4.4
SynonymsUNII-PX9AZU7QPK
CCRIS 3334
Bombesin acetate salt hydrate
bombesin-acetate
Alytesin, 2-L-glutamine-6-L-asparagine-
[ Show all ]
Inchi KeyQXZBMSIDSOZZHK-DOPDSADYSA-N
Inchi IDInChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1
PubChem CID16201612
ChEMBLCHEMBL437027
IUPHAR616
BindingDB86499, 85484
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
289631Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
289627Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384
289628Gastrin-releasing peptide receptorP30550GRPRHomo sapiens (Human)384
289630Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384
289629Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390
289633Neuromedin-B receptorP24053NmbrRattus norvegicus (Rat)390
289632Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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