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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	CHEMBL227600
Molecular formula	C30H31F4N3O4S
IUPAC name	(3R)-3-(4-fluorophenyl)-N-[(4R)-7-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
Molecular weight	605.649
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	4.6
Synonyms	(R)-3-(4-fluorophenyl)-N-((R)-7-(pyrrolidin-1-ylmethyl)chroman-4-yl)-3-(3-(trifluoromethyl)phenylsulfonamido)-propanamide BDBM50209720 SCHEMBL13926546
Inchi Key	RWSNBZPLWHLFHV-KAYWLYCHSA-N
Inchi ID	InChI=1S/C30H31F4N3O4S/c31-23-9-7-21(8-10-23)27(36-42(39,40)24-5-3-4-22(17-24)30(32,33)34)18-29(38)35-26-12-15-41-28-16-20(6-11-25(26)28)19-37-13-1-2-14-37/h3-11,16-17,26-27,36H,1-2,12-15,18-19H2,(H,35,38)/t26-,27-/m1/s1
PubChem CID	16221108
ChEMBL	CHEMBL227600
IUPHAR	N/A
BindingDB	50209720
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
306997	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
306998	B1 bradykinin receptor	P97583	Bdkrb1	Rattus norvegicus (Rat)	337
306999	B1 bradykinin receptor	P48748	BDKRB1	Oryctolagus cuniculus (Rabbit)	352

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