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Ligand

Nameaplaviroc
Molecular formulaC33H43N3O6
IUPAC name4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
Molecular weight577.722
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.1
SynonymsAK-602
GW873140
AK 602
UNII-98B425P30V
GW 873140
[ Show all ]
Inchi KeyGWNOTCOIYUNTQP-FQLXRVMXSA-N
Inchi IDInChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
PubChem CID3001322
ChEMBLCHEMBL1255794
IUPHAR805
BindingDB50336345
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
107080C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
107081C-C chemokine receptor type 5Q1ZY22CCR5Oryctolagus cuniculus (Rabbit)352
107082C-C chemokine receptor type 5O08556Ccr5Rattus norvegicus (Rat)354
107083C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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