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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	CHEMBL380437
Molecular formula	C35H45N5O2
IUPAC name	2-[3-[(2S,4R)-1-[(2R)-2-benzyl-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]-4-phenylmethoxypyrrolidin-2-yl]propyl]guanidine
Molecular weight	567.778
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	4.3
Synonyms	BDBM50179464 N-{3-[(2S,4R)-4-benzyloxy-1-((R)-2-benzyl-4-(S)-1,2,3,4-tetrahydro-isoquinolin-3-yl-butyryl)-pyrrolidin-2-yl]-propyl}-guanidine
Inchi Key	CCZXZVFJUFMBBA-NWAHQLIBSA-N
Inchi ID	InChI=1S/C35H45N5O2/c36-35(37)38-19-9-16-32-22-33(42-25-27-12-5-2-6-13-27)24-40(32)34(41)29(20-26-10-3-1-4-11-26)17-18-31-21-28-14-7-8-15-30(28)23-39-31/h1-8,10-15,29,31-33,39H,9,16-25H2,(H4,36,37,38)/t29-,31+,32+,33-/m1/s1
PubChem CID	44409206
ChEMBL	CHEMBL380437
IUPHAR	N/A
BindingDB	50179464
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
39090	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
39089	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
39091	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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