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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	CHEMBL149795
Molecular formula	C29H36N2O2
IUPAC name	3-[[(2R)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(4-tert-butylphenyl)methyl]phenol
Molecular weight	444.619
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.5
Synonyms	BDBM50084134 3-[(4-tert-Butylphenyl)[(2R)-2-(hydroxymethyl)-4-benzylpiperazino]methyl]phenol 3-[((R)-4-Benzyl-2-hydroxymethyl-piperazin-1-yl)-(4-tert-butyl-phenyl)-methyl]-phenol
Inchi Key	ANLPBQYTVZSEEV-HSLSYKTRSA-N
Inchi ID	InChI=1S/C29H36N2O2/c1-29(2,3)25-14-12-23(13-15-25)28(24-10-7-11-27(33)18-24)31-17-16-30(20-26(31)21-32)19-22-8-5-4-6-9-22/h4-15,18,26,28,32-33H,16-17,19-21H2,1-3H3/t26-,28?/m1/s1
PubChem CID	10503458
ChEMBL	CHEMBL149795
IUPHAR	N/A
BindingDB	50084134
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
9665	Delta-type opioid receptor	P33533	Oprd1	Rattus norvegicus (Rat)	372
9662	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398
9663	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
9664	Mu-type opioid receptor	P42866	Oprm1	Mus musculus (Mouse)	398

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