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Ligand

NameCHEMBL267646
Molecular formulaC55H73N11O19S2
IUPAC name(3S)-3-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoic acid
Molecular weight1256.37
Hydrogen bond acceptor21
Hydrogen bond donor19
XlogP-2.0
SynonymsN/A
Inchi KeyRXCCMAVMXOUEDF-IJXJCFDCSA-N
Inchi IDInChI=1S/C55H73N11O19S2/c1-27(2)17-35(47(77)58-34(46(56)76)21-44(72)73)59-49(79)37(19-30-9-13-32(70)14-10-30)61-54(84)42(25-86)66-53(83)41(24-68)63-50(80)38(20-31-11-15-33(71)16-12-31)60-51(81)39(22-45(74)75)62-52(82)40(23-67)64-55(85)43(26-87)65-48(78)36(57-28(3)69)18-29-7-5-4-6-8-29/h4-16,27,34-43,67-68,70-71,86-87H,17-26H2,1-3H3,(H2,56,76)(H,57,69)(H,58,77)(H,59,79)(H,60,81)(H,61,84)(H,62,82)(H,63,80)(H,64,85)(H,65,78)(H,66,83)(H,72,73)(H,74,75)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
PubChem CID44277798
ChEMBLCHEMBL267646
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
307246Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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