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Ligand

NameCHEMBL1813448
Molecular formulaC32H41N3O6
IUPAC name4-[4-[[(3R)-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1-propyl-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
Molecular weight563.695
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.8
SynonymsBDBM50350041
SCHEMBL5349292
CHEMBL1852753
Inchi KeyANXCVWTTXMWENG-VSGBNLITSA-N
Inchi IDInChI=1S/C32H41N3O6/c1-2-18-35-29(37)27(28(36)23-6-4-3-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1
PubChem CID23577448
ChEMBLN/A
IUPHARN/A
BindingDB50350041
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9978C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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