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Ligand

NameCHEMBL3958575
Molecular formulaC35H53N11O4
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-(4-carbamimidoyl-1,4-diazepan-1-yl)-4-(diaminomethylideneamino)-1-oxobutan-2-yl]-4-methylpentanamide
Molecular weight691.882
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP0.5
SynonymsN/A
Inchi KeyAXFXBIRQMYQRIW-DZUOILHNSA-N
Inchi IDInChI=1S/C35H53N11O4/c1-23(2)20-28(31(48)42-27(14-15-41-34(37)38)33(50)45-16-9-17-46(19-18-45)35(39)40)44-32(49)29(22-25-12-7-4-8-13-25)43-30(47)26(36)21-24-10-5-3-6-11-24/h3-8,10-13,23,26-29H,9,14-22,36H2,1-2H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)(H4,37,38,41)/t26-,27-,28-,29-/m0/s1
PubChem CID134155638
ChEMBLCHEMBL3958575
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
548070Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
548071Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380

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