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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	CHEMBL486456
Molecular formula	C30H42N2O5S
IUPAC name	(2R,3S)-4-(4-tert-butylphenyl)sulfonyl-2,3-dihydroxy-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
Molecular weight	542.735
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.4
Synonyms	BDBM50244437 SCHEMBL5950361 (2R,3S)-4-(4-tert-butylphenylsulfonyl)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
Inchi Key	YWXDLWUBXXXTCS-JCYYIGJDSA-N
Inchi ID	InChI=1S/C30H42N2O5S/c1-30(2,3)23-11-13-24(14-12-23)38(36,37)20-27(33)28(34)29(35)31-26-9-7-8-22-18-21(10-15-25(22)26)19-32-16-5-4-6-17-32/h10-15,18,26-28,33-34H,4-9,16-17,19-20H2,1-3H3,(H,31,35)/t26-,27-,28-/m1/s1
PubChem CID	44561643
ChEMBL	CHEMBL486456
IUPHAR	N/A
BindingDB	50244437
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
421231	B1 bradykinin receptor	P48748	BDKRB1	Oryctolagus cuniculus (Rabbit)	352
421232	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353

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