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Ligand

NameAc-glucagon(6-14)amide
Molecular formulaC55H77N11O17
IUPAC name(3S)-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1164.28
Hydrogen bond acceptor18
Hydrogen bond donor17
XlogP-3.9
SynonymsCHEMBL415030
Inchi KeyUSCWHVRXOXKZNL-KVPKXGFFSA-N
Inchi IDInChI=1S/C55H77N11O17/c1-29(2)22-38(47(57)75)60-49(77)40(24-33-13-17-35(71)18-14-33)61-48(76)37(12-8-9-21-56)59-53(81)43(27-67)64-50(78)41(25-34-15-19-36(72)20-16-34)62-51(79)42(26-45(73)74)63-54(82)44(28-68)65-55(83)46(30(3)69)66-52(80)39(58-31(4)70)23-32-10-6-5-7-11-32/h5-7,10-11,13-20,29-30,37-44,46,67-69,71-72H,8-9,12,21-28,56H2,1-4H3,(H2,57,75)(H,58,70)(H,59,81)(H,60,77)(H,61,76)(H,62,79)(H,63,82)(H,64,78)(H,65,83)(H,66,80)(H,73,74)/t30-,37+,38+,39+,40+,41+,42+,43+,44+,46+/m1/s1
PubChem CID44277930
ChEMBLCHEMBL415030
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
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GLASS IDNameUniProtGeneSpeciesLength
455387Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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