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Ligand

NameCHEMBL439069
Molecular formulaC55H74N12O8S
IUPAC name2-[[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-thiophen-2-ylpropanoyl]pyrrolidin-2-yl]methylamino]hexanamide
Molecular weight1063.33
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP4.7
SynonymsN/A
Inchi KeyFMVMWUCKEGBFSE-YSVVOKPZSA-N
Inchi IDInChI=1S/C55H74N12O8S/c1-6-7-20-43(49(56)69)59-31-39-17-13-24-67(39)55(75)46(28-40-18-14-25-76-40)65-50(70)34(4)62-54(74)48(33(2)3)66-51(71)35(5)61-52(72)44(26-37-29-58-42-21-12-11-19-41(37)42)64-53(73)45(27-38-30-57-32-60-38)63-47(68)23-22-36-15-9-8-10-16-36/h8-12,14-16,18-19,21,25,29-30,32-35,39,43-46,48,58-59H,6-7,13,17,20,22-24,26-28,31H2,1-5H3,(H2,56,69)(H,57,60)(H,61,72)(H,62,74)(H,63,68)(H,64,73)(H,65,70)(H,66,71)/t34-,35+,39-,43?,44+,45+,46+,48+/m1/s1
PubChem CID44359137
ChEMBLCHEMBL439069
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
82306Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384

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