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Ligand

NameCHEMBL266166
Molecular formulaC55H76N12O18S2
IUPAC name(3S)-3-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoic acid
Molecular weight1257.4
Hydrogen bond acceptor21
Hydrogen bond donor20
XlogP-5.6
SynonymsN/A
Inchi KeyUHQQETZNWLYLDM-RHHGGFELSA-N
Inchi IDInChI=1S/C55H76N12O18S2/c1-28(70)45(67-50(80)37(58-29(2)71)20-30-8-4-3-5-9-30)55(85)64-41(25-69)52(82)66-43(27-87)54(84)62-38(21-31-11-15-33(72)16-12-31)48(78)63-40(24-68)51(81)59-35(10-6-7-19-56)47(77)61-39(22-32-13-17-34(73)18-14-32)49(79)65-42(26-86)53(83)60-36(46(57)76)23-44(74)75/h3-5,8-9,11-18,28,35-43,45,68-70,72-73,86-87H,6-7,10,19-27,56H2,1-2H3,(H2,57,76)(H,58,71)(H,59,81)(H,60,83)(H,61,77)(H,62,84)(H,63,78)(H,64,85)(H,65,79)(H,66,82)(H,67,80)(H,74,75)/t28-,35+,36+,37+,38+,39+,40+,41+,42+,43+,45+/m1/s1
PubChem CID44278288
ChEMBLCHEMBL266166
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
337006Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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