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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	PharmaGSID_48521
Molecular formula	C31H49N5O4
IUPAC name	(5S)-5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Molecular weight	555.764
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.1
Synonyms	1191914-21-2 DSSTox_RID_82770 CAS-1191914-21-2 DSSTox_CID_28495 DTXSID8048521 SCHEMBL18841093 (S)-5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one DSSTox_GSID_48521 BDBM50310739 NCGC00257432-01 CHEMBL1078231 Tox21_303454 [ Show all ]
Inchi Key	CXXVJZRGOOIVOD-SANMLTNESA-N
Inchi ID	InChI=1S/C31H49N5O4/c1-5-6-7-26-21-35(20-25-8-18-39-19-9-25)29(38)40-31(26)12-16-36(17-13-31)30(4)10-14-34(15-11-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3/t26-/m0/s1
PubChem CID	44555481
ChEMBL	CHEMBL1078231
IUPHAR	N/A
BindingDB	50310739
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
53242	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
53243	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374
53239	C-C chemokine receptor type 3	P51677	CCR3	Homo sapiens (Human)	355
53237	C-C chemokine receptor type 4	P51679	CCR4	Homo sapiens (Human)	360
53238	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
53241	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
53240	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352

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