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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Chemokine-like receptor 1
Species	Homo sapiens (Human)
Gene	CMKLR1
Synonym	tazarotene induced gene 2 receptor RVER1 resolvin E1 receptor Gpcr27 G-protein coupled receptor DEZ G-protein coupled receptor ChemR23 CMKLR1 chemokine receptor-like 1 Chemerin1 chemerin receptor 1 TIG2 receptor [ Show all ]
Disease	N/A
Length	373
Amino acid sequence	MRMEDEDYNTSISYGDEYPDYLDSIVVLEDLSPLEARVTRIFLVVVYSIVCFLGILGNGLVIIIATFKMKKTVNMVWFLNLAVADFLFNVFLPIHITYAAMDYHWVFGTAMCKISNFLLIHNMFTSVFLLTIISSDRCISVLLPVWSQNHRSVRLAYMACMVIWVLAFFLSSPSLVFRDTANLHGKISCFNNFSLSTPGSSSWPTHSQMDPVGYSRHMVVTVTRFLCGFLVPVLIITACYLTIVCKLQRNRLAKTKKPFKIIVTIIITFFLCWCPYHTLNLLELHHTAMPGSVFSLGLPLATALAIANSCMNPILYVFMGQDFKKFKVALFSRLVNALSEDTGHSSYPSHRSFTKMSSMNERTSMNERETGML
UniProt	Q99788
Protein Data Bank	N/A
GPCR-HGmod model	Q99788
3D structure model	This predicted structure model is from GPCR-EXP Q99788.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3540
IUPHAR	79
DrugBank	N/A

Ligand

Name	CHEMBL3893852
Molecular formula	C25H22F6N2O2
IUPAC name	(3aS,7aS)-N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-1-oxo-3,4,7,7a-tetrahydroisoindole-3a-carboxamide
Molecular weight	496.453
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.3
Synonyms	SCHEMBL15251217
Inchi Key	HDBGYYQQPDTCQA-AUSIDOKSSA-N
Inchi ID	InChI=1S/C25H22F6N2O2/c1-14-6-5-7-15(2)20(14)33-13-23(9-4-3-8-19(23)21(33)34)22(35)32-18-11-16(24(26,27)28)10-17(12-18)25(29,30)31/h3-7,10-12,19H,8-9,13H2,1-2H3,(H,32,35)/t19-,23-/m1/s1
PubChem CID	89799844
ChEMBL	CHEMBL3893852
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	>300.0 nM	None	ChEMBL

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