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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	CHEMBL96442
Molecular formula	C41H45N5O5
IUPAC name	[1-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methanone
Molecular weight	687.841
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	5.8
Synonyms	(3-Phenyl-3-{2-[4-(1-pyridin-2-ylmethyl-1H-benzoimidazole-2-carbonyl)-piperidin-1-yl]-ethyl}-pyrrolidin-1-yl)-(3,4,5-trimethoxy-phenyl)-methanone BDBM50290717 SCHEMBL7947303
Inchi Key	AOMZRTTZRBZOAC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C41H45N5O5/c1-49-35-25-30(26-36(50-2)38(35)51-3)40(48)45-24-19-41(28-45,31-11-5-4-6-12-31)18-23-44-21-16-29(17-22-44)37(47)39-43-33-14-7-8-15-34(33)46(39)27-32-13-9-10-20-42-32/h4-15,20,25-26,29H,16-19,21-24,27-28H2,1-3H3
PubChem CID	10233656
ChEMBL	CHEMBL96442
IUPHAR	N/A
BindingDB	50290717
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
10381	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
10380	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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