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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	CHEMBL423101
Molecular formula	C33H35ClN6O2
IUPAC name	(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(imidazol-1-ylmethyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight	583.133
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.1
Synonyms	BDBM50139023 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-imidazol-1-ylmethyl-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
Inchi Key	BVTKLQRLIKZFNA-LOYHVIPDSA-N
Inchi ID	InChI=1S/C33H35ClN6O2/c34-28-11-9-24(10-12-28)19-30(37-32(41)29-20-25-5-1-2-6-26(25)21-36-29)33(42)40-17-15-39(16-18-40)31-8-4-3-7-27(31)22-38-14-13-35-23-38/h1-14,23,29-30,36H,15-22H2,(H,37,41)/t29-,30-/m1/s1
PubChem CID	10325955
ChEMBL	CHEMBL423101
IUPHAR	N/A
BindingDB	50139023
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
34056	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
34058	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
34059	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
34057	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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