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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
Molecular formula	C33H43N3O6
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
Molecular weight	577.722
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.1
Synonyms	PG9-apl conjugate 674782-28-6 AK602 Benzoic acid, 4-[4-[[1-butyl-3-[(R)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]- & Soluble CD4 D0G6SZ mAb 2G12-apl conjugate mAB PG9-aplaviroc conjugate Trastuzumab-aplaviroc conjugate 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl-hydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid 873140 Compound b12 antibody-aplaviroc conjugate CD4-IgG-apl conjugate GTPL805 ONO-4128 461443-59-4 AK 602 Benzoic acid, 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9-triazaspiro(55)undec-9-yl)methyl)phenoxy)- CHEMBL1668019 GW873140 mAB b12-apl conjugate SCHEMBL4577096 2G12 antibody-aplaviroc conjugate 675184-11-9 Benzoic acid, 4-[4-[[1-butyl-3-[(R)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]-& Soluble CD4 DTXSID6047317 NCGC00247933-01 UNII-98B425P30V 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 98B425P30V BCP22462 GW 873140 PG16 antibody-aplaviroc conjugate AK-602 Benzoic acid, 4-[4-[[1-butyl-3-[(R)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]- CS-0008289 HY-17450 mAB PG16-apl conjugate Trastuzumab antibody conjugated with aplaviroc 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride Aplaviroc [INN] CD4-IgG aplaviroc conjugate GSK873140 ONO 4128 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 AC1MHDOS BDBM50336345 CHEMBL1255794 GW-873140 [ Show all ]
Inchi Key	GWNOTCOIYUNTQP-FQLXRVMXSA-N
Inchi ID	InChI=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 CID	3001322
ChEMBL	CHEMBL1255794
IUPHAR	805
BindingDB	50336345
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
107080	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
107081	C-C chemokine receptor type 5	Q1ZY22	CCR5	Oryctolagus cuniculus (Rabbit)	352
107082	C-C chemokine receptor type 5	O08556	Ccr5	Rattus norvegicus (Rat)	354
107083	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352

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