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Ligand

NameCHEMBL3978743
Molecular formulaC34H51N9O4
IUPAC name(2S)-N-[(2S)-4-amino-1-(4-carbamimidoyl-1,4-diazepan-1-yl)-1-oxobutan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
Molecular weight649.841
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP1.1
SynonymsN/A
Inchi KeyFJZYPXQIWZSVAU-DZUOILHNSA-N
Inchi IDInChI=1S/C34H51N9O4/c1-23(2)20-28(31(45)39-27(14-15-35)33(47)42-16-9-17-43(19-18-42)34(37)38)41-32(46)29(22-25-12-7-4-8-13-25)40-30(44)26(36)21-24-10-5-3-6-11-24/h3-8,10-13,23,26-29H,9,14-22,35-36H2,1-2H3,(H3,37,38)(H,39,45)(H,40,44)(H,41,46)/t26-,27-,28-,29-/m0/s1
PubChem CID134151437
ChEMBLCHEMBL3978743
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548841Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
548842Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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