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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	CHEMBL437060
Molecular formula	C48H58N6O6
IUPAC name	N-benzyl-2-[[2-[[2-(3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl)acetyl]amino]-3-(1-octanoylindol-3-yl)propanoyl]amino]-N-methyl-3-phenylpropanamide
Molecular weight	815.028
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	6.8
Synonyms	BDBM50406792
Inchi Key	LMKXUGXJFNHYIM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C48H58N6O6/c1-3-4-5-6-13-22-43(56)53-31-35(37-20-14-15-21-41(37)53)28-38(49-42(55)29-40-48(60)54-36-25-23-34(24-26-36)44(54)46(58)51-40)45(57)50-39(27-32-16-9-7-10-17-32)47(59)52(2)30-33-18-11-8-12-19-33/h7-12,14-21,31,34,36,38-40,44H,3-6,13,22-30H2,1-2H3,(H,49,55)(H,50,57)(H,51,58)
PubChem CID	23277785
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50406792
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
191043	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
520465	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
191042	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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