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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	CHEMBL458001
Molecular formula	C28H26ClN5O2
IUPAC name	N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]-4-phenylbenzamide
Molecular weight	499.999
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.9
Synonyms	BDBM50412983
Inchi Key	IIGRUZXPSNFKHF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
PubChem CID	44581972
ChEMBL	CHEMBL458001
IUPHAR	N/A
BindingDB	50412983
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
133872	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
133873	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
133869	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
133863	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
133868	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
133864	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
133865	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
133871	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
133867	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
133870	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
133866	Mas-related G-protein coupled receptor member X1	Q96LB2	MRGPRX1	Homo sapiens (Human)	322

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