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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	CHEMBL161093
Molecular formula	C33H40N2O
IUPAC name	(2S,3aS,4S,5S)-2,4-diphenyl-5-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole
Molecular weight	480.696
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	7.6
Synonyms	(2S,3aalpha)-2alpha,4alpha-Diphenyl-5beta-[4-(3-phenylpropyl)piperidinomethyl]hexahydropyrrolo[1,2-b]isoxazole BDBM50110099 (2S,3aS,4S,5S)-2,4-Diphenyl-5-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-hexahydro-pyrrolo[1,2-b]isoxazole
Inchi Key	ATQZSLPBLOHQLC-ZWDYZTTJSA-N
Inchi ID	InChI=1S/C33H40N2O/c1-4-11-26(12-5-1)13-10-14-27-19-21-34(22-20-27)24-30-25-35-31(33(30)29-17-8-3-9-18-29)23-32(36-35)28-15-6-2-7-16-28/h1-9,11-12,15-18,27,30-33H,10,13-14,19-25H2/t30-,31-,32-,33+/m0/s1
PubChem CID	44373852
ChEMBL	CHEMBL161093
IUPHAR	N/A
BindingDB	50110099
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
14266	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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