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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	CHEMBL3717681
Molecular formula	C33H34N8O3
IUPAC name	1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide
Molecular weight	590.688
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	3.1
Synonyms	SCHEMBL14020511
Inchi Key	WHNYQHWYHHGWHD-LJAQVGFWSA-N
Inchi ID	InChI=1S/C33H34N8O3/c34-30(42)29(13-7-18-39-33(35)36)41-28-15-14-23(32(43)38-19-16-24-9-4-5-17-37-24)21-27(28)40-31(41)22-8-6-12-26(20-22)44-25-10-2-1-3-11-25/h1-6,8-12,14-15,17,20-21,29H,7,13,16,18-19H2,(H2,34,42)(H,38,43)(H4,35,36,39)/t29-/m0/s1
PubChem CID	59819673
ChEMBL	CHEMBL3717681
IUPHAR	N/A
BindingDB	N/A
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
532044	Mas-related G-protein coupled receptor member X1	Q96LB2	MRGPRX1	Homo sapiens (Human)	322
532045	Mas-related G-protein coupled receptor member X2	Q96LB1	MRGPRX2	Homo sapiens (Human)	330
532046	Mas-related G-protein coupled receptor member X2	Q4QXU5	MRGPRX2	Macaca mulatta (Rhesus macaque)	329

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