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Ligand

NameCHEMBL357437
Molecular formulaC44H68N14O9S
IUPAC name(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-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]butanediamide
Molecular weight969.177
Hydrogen bond acceptor13
Hydrogen bond donor13
XlogP-1.1
SynonymsN/A
Inchi KeyYRTZZZHRZOMSLQ-ONORROJHSA-N
Inchi IDInChI=1S/C44H68N14O9S/c1-23(2)13-28(20-50-31(39(47)62)11-12-68-6)54-42(65)33(15-27-19-48-22-52-27)56-37(61)21-51-44(67)38(24(3)4)58-40(63)25(5)53-41(64)32(14-26-18-49-30-10-8-7-9-29(26)30)57-43(66)34(16-35(46)59)55-36(60)17-45/h7-10,18-19,22-25,28,31-34,38,49-50H,11-17,20-21,45H2,1-6H3,(H2,46,59)(H2,47,62)(H,48,52)(H,51,67)(H,53,64)(H,54,65)(H,55,60)(H,56,61)(H,57,66)(H,58,63)/t25-,28-,31-,32-,33-,34-,38-/m0/s1
PubChem CID44361862
ChEMBLCHEMBL357437
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
417696Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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