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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	CHEMBL453339
Molecular formula	C30H36N2O5S
IUPAC name	(2R,3S)-2,3-dihydroxy-4-naphthalen-2-ylsulfonyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
Molecular weight	536.687
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.0
Synonyms	BDBM50244566 SCHEMBL5950710 (2R,3S)-2,3-dihydroxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide XENUKVRWXVFLTR-MPFGFTFXSA-N
Inchi Key	XENUKVRWXVFLTR-MPFGFTFXSA-N
Inchi ID	InChI=1S/C30H36N2O5S/c33-28(20-38(36,37)25-13-12-22-7-2-3-8-23(22)18-25)29(34)30(35)31-27-10-6-9-24-17-21(11-14-26(24)27)19-32-15-4-1-5-16-32/h2-3,7-8,11-14,17-18,27-29,33-34H,1,4-6,9-10,15-16,19-20H2,(H,31,35)/t27-,28-,29-/m1/s1
PubChem CID	11663809
ChEMBL	CHEMBL453339
IUPHAR	N/A
BindingDB	50244566
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
389811	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
389812	B1 bradykinin receptor	P48748	BDKRB1	Oryctolagus cuniculus (Rabbit)	352

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