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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	C-C chemokine receptor type 5
Species	Oryctolagus cuniculus (Rabbit)
Gene	CCR5
Synonym	C-C CKR-5 CC-CKR-5 CCR-5 MIP-1 alpha receptor
Disease	N/A for non-human GPCRs
Length	352
Amino acid sequence	MDYSMSTALYDIDYGMSEPCQKIDVKQVAARLLPPLYSLVFIFGFVGNLLVVLILITCKKLKSMTDIYLLNLAISDLLFLLTLPLWAHYAAAEWDFGGAMCKVFTGMYHMGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSGVTWVAAILVSLPDIIFTRSQKEGFRCSCSPHFPASQYQFWKNFHTIMRNILSLVLPLLVMIVCYSGILKTLLRCRNEKRRHRAVRLIFAIMVVYFLFWAPYNVVLLLNTFQEFFGLNNCSSSNRLDRAMQVTETLGMTHCCINPVVYAFVGEKFRSYLSAFFRKHVAKRLCKHCPLLPRETPEPASSVYTRSTGEQEISVGL
UniProt	Q1ZY22
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1795147
IUPHAR	N/A
DrugBank	N/A

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	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 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 [ 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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	30000.0 nM	PMID21658961	ChEMBL

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