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Ligand

NameCHEMBL415589
Molecular formulaC51H75N17O11S
IUPAC name(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-formylamino]-4-methylpentan-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]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]butanediamide
Molecular weight1134.33
Hydrogen bond acceptor15
Hydrogen bond donor14
XlogP-1.6
SynonymsN/A
Inchi KeyKJWJZYUFESUWGS-DPSMHMHMSA-N
Inchi IDInChI=1S/C51H75N17O11S/c1-27(2)13-33(23-68(26-69)40(45(54)73)11-12-80-6)62-48(76)37(15-31-20-55-24-59-31)64-43(72)22-58-51(79)44(28(3)4)67-46(74)29(5)61-47(75)36(14-30-19-57-35-10-8-7-9-34(30)35)65-49(77)38(16-32-21-56-25-60-32)66-50(78)39(17-41(53)70)63-42(71)18-52/h7-10,19-21,24-29,33,36-40,44,57H,11-18,22-23,52H2,1-6H3,(H2,53,70)(H2,54,73)(H,55,59)(H,56,60)(H,58,79)(H,61,75)(H,62,76)(H,63,71)(H,64,72)(H,65,77)(H,66,78)(H,67,74)/t29-,33-,36-,37-,38-,39-,40-,44-/m0/s1
PubChem CID44361939
ChEMBLCHEMBL415589
IUPHARN/A
BindingDBN/A
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
170882Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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