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Ligand

NameCHEMBL1270383
Molecular formulaC28H30N2O2
IUPAC name(1R,14S,15R)-25-(cyclobutylmethyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaene-14,20-diol
Molecular weight426.56
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM224027
BDBM50329098
Inchi KeyXTQJMKKUNXFEFW-JCYYIGJDSA-N
Inchi IDInChI=1S/C28H30N2O2/c31-22-9-8-19-13-26-28(32)15-21-12-20-6-1-2-7-24(20)29-25(21)16-27(28,23(19)14-22)10-11-30(26)17-18-4-3-5-18/h1-2,6-9,12,14,18,26,31-32H,3-5,10-11,13,15-17H2/t26-,27-,28-/m1/s1
PubChem CID52943376
ChEMBLCHEMBL1270383
IUPHARN/A
BindingDB224027, 50329098
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
400623Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
400625Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
569763Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330
400624Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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