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Ligand

NameCHEMBL272335
Molecular formulaC57H91N15O11S
IUPAC name(2S)-2-[8-(6-aminohexanoylamino)octanoylamino]-N-[(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]pentanediamide
Molecular weight1194.51
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP1.4
SynonymsBDBM50374870
Inchi KeyIHQBXPLXVIPJRV-WPVZLMRRSA-N
Inchi IDInChI=1S/C57H91N15O11S/c1-34(2)27-43(55(81)69-41(51(60)77)23-26-84-6)70-56(82)45(29-38-31-61-33-65-38)68-49(76)32-64-57(83)50(35(3)4)72-52(78)36(5)66-54(80)44(28-37-30-63-40-18-14-13-17-39(37)40)71-53(79)42(21-22-46(59)73)67-48(75)20-11-8-7-9-16-25-62-47(74)19-12-10-15-24-58/h13-14,17-18,30-31,33-36,41-45,50,63H,7-12,15-16,19-29,32,58H2,1-6H3,(H2,59,73)(H2,60,77)(H,61,65)(H,62,74)(H,64,83)(H,66,80)(H,67,75)(H,68,76)(H,69,81)(H,70,82)(H,71,79)(H,72,78)/t36-,41-,42-,43-,44-,45-,50-/m0/s1
PubChem CID44454030
ChEMBLCHEMBL272335
IUPHARN/A
BindingDB50374870
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
133465Gastrin-releasing peptide receptorP30550GRPRHomo sapiens (Human)384

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