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Ligand

NameGlucagon(5-16)amide
Molecular formulaC64H92N14O23
IUPAC name(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1425.52
Hydrogen bond acceptor25
Hydrogen bond donor23
XlogP-9.7
SynonymsCHEMBL440261
Inchi KeySHWYALKUKDZAEK-ICEQOEGCSA-N
Inchi IDInChI=1S/C64H92N14O23/c1-31(2)22-40(55(92)72-45(27-50(88)89)59(96)75-46(28-79)53(67)90)69-56(93)41(24-35-13-17-37(84)18-14-35)70-54(91)39(12-8-9-21-65)68-61(98)47(29-80)76-57(94)42(25-36-15-19-38(85)20-16-36)71-58(95)44(26-49(86)87)73-62(99)48(30-81)77-64(101)52(33(4)83)78-60(97)43(23-34-10-6-5-7-11-34)74-63(100)51(66)32(3)82/h5-7,10-11,13-20,31-33,39-48,51-52,79-85H,8-9,12,21-30,65-66H2,1-4H3,(H2,67,90)(H,68,98)(H,69,93)(H,70,91)(H,71,95)(H,72,92)(H,73,99)(H,74,100)(H,75,96)(H,76,94)(H,77,101)(H,78,97)(H,86,87)(H,88,89)/t32-,33-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,51+,52+/m1/s1
PubChem CID44278461
ChEMBLCHEMBL440261
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
454194Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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