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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Aplaviroc hydrochloride
Molecular formula	C33H44ClN3O6
IUPAC name	4-[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;hydrochloride
Molecular weight	614.18
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	None
Synonyms	DSSTox_CID_27316 SCHEMBL4821965 4-(4-(((3R)-1-Butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9- triazaspiro(5.5)undec-9-yl)methyl)phenoxy)benzoic acid hydrochloride Benzoic acid, 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9- triazaspiro(5.5)undec-9-yl)methyl)phenoxy)-, monohydrochloride DTXSID1047316 AC1OCFQR CHEMBL1668019 NCGC00254150-01 (3r)-1-butyl-2,5-dioxo-3-((1r)-1-hydroxy-1-cyclohexylmethyl)-9-(4-(4-carboxyphenyloxy)phenylmethyl)-1,4,9-triazaspiro[5.5]undecane.hydrochloride Aplaviroc hydrochloride (USAN) DSSTox_GSID_47316 Tox21_300211 4-[4-[[(9R)-11-butyl-9-[(R)-cyclohexyl(hydroxy)methyl]-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoic acid hydrochloride CAS-461023-63-2 GW-873140 Aplaviroc HCl D06557 QNNBMSGFNQRUEH-PQQSRXGVSA-N 04D148Z3VR Aplaviroc hydrochloride [USAN] DSSTox_RID_82265 UNII-04D148Z3VR 461023-63-2 GW873140A [ Show all ]
Inchi Key	QNNBMSGFNQRUEH-PQQSRXGVSA-N
Inchi ID	InChI=1S/C33H43N3O6.ClH/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);1H/t28-,29-;/m1./s1
PubChem CID	6918686
ChEMBL	CHEMBL1668019
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
282496	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
282497	C-C chemokine receptor type 5	O08556	Ccr5	Rattus norvegicus (Rat)	354
282499	C-C chemokine receptor type 5	Q1ZY22	CCR5	Oryctolagus cuniculus (Rabbit)	352
282498	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352

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