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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	CHEMBL451438
Molecular formula	C33H52O8
IUPAC name	[(3S,5R,6S,7S,10R,11R,13R,14R,17R)-6,7-diacetyloxy-5,11-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular weight	576.771
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	5.1
Synonyms	cholest-8-ene-3beta,5alpha,6alpha,7alpha,10alpha-pentol 3,6,7-triacetate 5alpha-Cholesta-8-ene-3beta,5,6alpha,7alpha,11alpha-pentol 3,6,7-triacetate BDBM50269197
Inchi Key	ICLBGXNCCPNRNO-GKZMMRKQSA-N
Inchi ID	InChI=1S/C33H52O8/c1-18(2)10-9-11-19(3)24-12-13-25-27-28(26(37)17-31(24,25)7)32(8)15-14-23(39-20(4)34)16-33(32,38)30(41-22(6)36)29(27)40-21(5)35/h18-19,23-26,29-30,37-38H,9-17H2,1-8H3/t19-,23+,24-,25+,26-,29+,30+,31-,32-,33+/m1/s1
PubChem CID	10555185
ChEMBL	CHEMBL451438
IUPHAR	N/A
BindingDB	50269197
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
129883	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350

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