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Ligand

NameCHEMBL408316
Molecular formulaC54H73N11O15S2
IUPAC name2-[(4R,7S,10S,13S,16R)-16-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-4-[[(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]carbamoyl]-13-(hydroxymethyl)-7-[(4-hydroxyphenyl)methyl]-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadec-10-yl]acetic acid
Molecular weight1180.36
Hydrogen bond acceptor18
Hydrogen bond donor15
XlogP-1.9
SynonymsN/A
Inchi KeySHPPBDJULDZICP-FSLKYBNLSA-N
Inchi IDInChI=1S/C54H73N11O15S2/c1-29(2)21-37(46(56)72)59-49(75)39(23-32-12-16-34(68)17-13-32)60-47(73)36(11-7-8-20-55)58-53(79)43-27-81-82-28-44(64-48(74)38(57-30(3)67)22-31-9-5-4-6-10-31)54(80)63-42(26-66)52(78)62-41(25-45(70)71)51(77)61-40(50(76)65-43)24-33-14-18-35(69)19-15-33/h4-6,9-10,12-19,29,36-44,66,68-69H,7-8,11,20-28,55H2,1-3H3,(H2,56,72)(H,57,67)(H,58,79)(H,59,75)(H,60,73)(H,61,77)(H,62,78)(H,63,80)(H,64,74)(H,65,76)(H,70,71)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
PubChem CID44277928
ChEMBLCHEMBL408316
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
314519Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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