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Ligand

NameSCHEMBL10316438
Molecular formulaC37H57N9O4
IUPAC name(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2R)-1-(4-carbamimidoyl-1,4-diazepan-1-yl)-6-(methylamino)-1-oxohexan-2-yl]-4-methylpentanamide
Molecular weight691.922
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP2.4
SynonymsUS9359399, 1
BDBM235787
Inchi KeyBWOLOWBBCGTZIF-SEVDZJIVSA-N
Inchi IDInChI=1S/C37H57N9O4/c1-26(2)23-31(34(48)42-30(17-10-11-18-41-3)36(50)45-19-12-20-46(22-21-45)37(39)40)44-35(49)32(25-28-15-8-5-9-16-28)43-33(47)29(38)24-27-13-6-4-7-14-27/h4-9,13-16,26,29-32,41H,10-12,17-25,38H2,1-3H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)/t29-,30-,31-,32-/m1/s1
PubChem CID53380296
ChEMBLN/A
IUPHARN/A
BindingDB235787
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
558340Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
558341Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380

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