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Ligand

NameGlucagon(1-11)amide
Molecular formulaC52H73N15O20
IUPAC name(3S)-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1228.24
Hydrogen bond acceptor22
Hydrogen bond donor21
XlogP-10.4
SynonymsCHEMBL409187
Inchi KeyVGQAYMUIDRMDLN-WKEJQVFOSA-N
Inchi IDInChI=1S/C52H73N15O20/c1-24(71)41(66-39(75)19-57-45(80)31(12-13-38(54)74)59-49(84)36(21-69)64-44(79)30(53)16-28-18-56-23-58-28)51(86)62-33(14-26-6-4-3-5-7-26)48(83)67-42(25(2)72)52(87)65-37(22-70)50(85)61-34(17-40(76)77)47(82)60-32(15-27-8-10-29(73)11-9-27)46(81)63-35(20-68)43(55)78/h3-11,18,23-25,30-37,41-42,68-73H,12-17,19-22,53H2,1-2H3,(H2,54,74)(H2,55,78)(H,56,58)(H,57,80)(H,59,84)(H,60,82)(H,61,85)(H,62,86)(H,63,81)(H,64,79)(H,65,87)(H,66,75)(H,67,83)(H,76,77)/t24-,25-,30+,31+,32+,33+,34+,35+,36+,37+,41+,42+/m1/s1
PubChem CID44277828
ChEMBLCHEMBL409187
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
455800Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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