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Ligand

NameCHEMBL28541
Molecular formulaC35H50N8O10S2
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-6-amino-N-[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide
Molecular weight806.951
Hydrogen bond acceptor13
Hydrogen bond donor13
XlogP-1.4
SynonymsN/A
Inchi KeyKTHRLQPNDPQNOJ-AQRCPPRCSA-N
Inchi IDInChI=1S/C35H50N8O10S2/c1-19(45)38-29(18-55)35(53)41-25(14-20-5-9-22(46)10-6-20)32(50)42-27(16-44)34(52)39-24(4-2-3-13-36)31(49)40-26(15-21-7-11-23(47)12-8-21)33(51)43-28(17-54)30(37)48/h5-12,24-29,44,46-47,54-55H,2-4,13-18,36H2,1H3,(H2,37,48)(H,38,45)(H,39,52)(H,40,49)(H,41,53)(H,42,50)(H,43,51)/t24-,25-,26-,27-,28-,29-/m0/s1
PubChem CID44278286
ChEMBLCHEMBL28541
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
448706Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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