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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	CHEMBL93168
Molecular formula	C29H31BrN2O
IUPAC name	(2-bromophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
Molecular weight	503.484
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	6.1
Synonyms	(2-bromophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone CTK5I8674 (+/-)-rel-Piperidine, 1-[[(3S,4S)-1-(2-bromobenzoyl)-4-phenyl-3-pyrrolidinyl]methyl]-4-phenyl- (2-bromophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone AC1LAKA2 (2-Bromo-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone (2-bromophenyl){(3s,4s)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl}methanone BDBM50105553 [ Show all ]
Inchi Key	ABBUEGRTOFDVBQ-AHKZPQOWSA-N
Inchi ID	InChI=1S/C29H31BrN2O/c30-28-14-8-7-13-26(28)29(33)32-20-25(27(21-32)24-11-5-2-6-12-24)19-31-17-15-23(16-18-31)22-9-3-1-4-10-22/h1-14,23,25,27H,15-21H2/t25-,27+/m0/s1
PubChem CID	489817
ChEMBL	CHEMBL93168
IUPHAR	N/A
BindingDB	50105553
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
728	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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