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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	Safotibant
Molecular formula	C25H34N4O5S
IUPAC name	N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
Molecular weight	502.63
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.6
Synonyms	N-((4-(4,5-Dihydro-1H-imidazol-2-yl)phenyl]methyl)-2-(2-((4-methoxy-2,6-dimethylbenzenesulfonyl)(methyl)amino]ethoxy)-N-methylacetamide D06BHG Safotibant [INN] 633698-99-4 L022637 LF22-0542 N-(4-(4,5-dihydro-1H-imidazol-2-yl)benzyl)-2-(2-(4-methoxy-N,2,6-trimethylphenylsulfonamido)ethoxy)-N-methylacetamide 02HU8HWP7U DTXSID20212769 SCHEMBL1723565 Acetamide, N-((4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)methyl)-2-(2-(((4-methoxy-2,6-dimethylphenyl)sulfonyl)methylamino)ethoxy)-N-methyl- Lf 22-0542 N-((4-(4,5-Dihydro-1H-imidazol-2-yl)phenyl)methyl)-2-(2-(((4-methoxy-2,6-dimethylphenyl)sulfonyl)methylamino)ethoxy)-N-methylacetamide CHEMBL1254771 FOV-2304 LF-22-0542 UNII-02HU8HWP7U BDBM50326708 [ Show all ]
Inchi Key	AMTQCENHQIDBHQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H34N4O5S/c1-18-14-22(33-5)15-19(2)24(18)35(31,32)29(4)12-13-34-17-23(30)28(3)16-20-6-8-21(9-7-20)25-26-10-11-27-25/h6-9,14-15H,10-13,16-17H2,1-5H3,(H,26,27)
PubChem CID	11953367
ChEMBL	CHEMBL1254771
IUPHAR	N/A
BindingDB	50326708
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
9244	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
9245	B1 bradykinin receptor	P97583	Bdkrb1	Rattus norvegicus (Rat)	337
9246	B1 bradykinin receptor	P48748	BDKRB1	Oryctolagus cuniculus (Rabbit)	352
9247	B1 bradykinin receptor	Q61125	Bdkrb1	Mus musculus (Mouse)	334

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