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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	CHEMBL164754
Molecular formula	C30H41N7O4S2
IUPAC name	1-benzhydryl-3-[4-[bis[3-(dimethylamino)propyl]sulfamoyl]-2-nitroanilino]thiourea
Molecular weight	627.823
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	5.4
Synonyms	1N,1N-di(3-dimethylaminopropyl)-4-benzhydrylamino(thioxo)methylhydrazine-3-nitro-1-benzenesulfonamide BDBM50085696 4-(Diphenylmethyl)-1-[4-[[bis[3-(dimethylamino)propyl]amino]sulfonyl]-2-nitrophenyl]thiosemicarbazide
Inchi Key	YYDFGSYKLRWOQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H41N7O4S2/c1-34(2)19-11-21-36(22-12-20-35(3)4)43(40,41)26-17-18-27(28(23-26)37(38)39)32-33-30(42)31-29(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-18,23,29,32H,11-12,19-22H2,1-4H3,(H2,31,33,42)
PubChem CID	10770256
ChEMBL	CHEMBL164754
IUPHAR	N/A
BindingDB	50085696
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
422105	B2 bradykinin receptor	P25023	Bdkrb2	Rattus norvegicus (Rat)	396

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