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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	CHEMBL118630
Molecular formula	C34H37FN2O6
IUPAC name	3-[(3R,5S)-4-acetyl-3-(1-adamantylmethyl)-1-[(2-fluorophenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonin-5-yl]-3-oxopropanoic acid
Molecular weight	588.676
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.2
Synonyms	(3R,5S)-1-(2-Fluorobenzyl)-3-(1-adamantylmethyl)-4-acetyl-2,7,beta-trioxo-2,3,4,5,6,7-hexahydro-1H-1,4-benzodiazonine-5-propionic acid
Inchi Key	DULPIFZCJNQTLS-FKVSENEQSA-N
Inchi ID	InChI=1S/C34H37FN2O6/c1-20(38)37-28(31(40)14-32(41)42)13-30(39)25-7-3-5-9-27(25)36(19-24-6-2-4-8-26(24)35)33(43)29(37)18-34-15-21-10-22(16-34)12-23(11-21)17-34/h2-9,21-23,28-29H,10-19H2,1H3,(H,41,42)/t21?,22?,23?,28-,29+,34?/m0/s1
PubChem CID	15513861
ChEMBL	CHEMBL118630
IUPHAR	N/A
BindingDB	N/A
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
69208	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452
69209	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453

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