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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	C-C chemokine receptor-like 2
Species	Homo sapiens (Human)
Gene	CCRL2
Synonym	ACR5 CRAM-B CRAM-A CKRX Chemokine receptor X Chemokine receptor CCR11 CCRL2 CCR6 CCR11 Putative MCP-1 chemokine receptor [ Show all ]
Disease	N/A
Length	344
Amino acid sequence	MANYTLAPEDEYDVLIEGELESDEAEQCDKYDAQALSAQLVPSLCSAVFVIGVLDNLLVVLILVKYKGLKRVENIYLLNLAVSNLCFLLTLPFWAHAGGDPMCKILIGLYFVGLYSETFFNCLLTVQRYLVFLHKGNFFSARRRVPCGIITSVLAWVTAILATLPEFVVYKPQMEDQKYKCAFSRTPFLPADETFWKHFLTLKMNISVLVLPLFIFTFLYVQMRKTLRFREQRYSLFKLVFAIMVVFLLMWAPYNIAFFLSTFKEHFSLSDCKSSYNLDKSVHITKLIATTHCCINPLLYAFLDGTFSKYLCRCFHLRSNTPLQPRGQSAQGTSREEPDHSTEV
UniProt	O00421
Protein Data Bank	N/A
GPCR-HGmod model	O00421
3D structure model	This predicted structure model is from GPCR-EXP O00421.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2321627
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL2315926
Molecular formula	C26H31F3N6O2S
IUPAC name	N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
Molecular weight	548.629
Hydrogen bond acceptor	11
Hydrogen bond donor	3
XlogP	4.1
Synonyms	JFVMCTNIXRINDX-UHFFFAOYSA-N BDBM163452 US9062048, 80 N-(1-(4-hydroxy-4-(2-isopropylthiazol-5-yl)cyclohexyl)azetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide BDBM50425701 CHEMBL3704096 SCHEMBL9999074 [ Show all ]
Inchi Key	JFVMCTNIXRINDX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H31F3N6O2S/c1-15(2)24-31-10-21(38-24)25(37)7-5-18(6-8-25)35-12-17(13-35)34-22(36)11-30-23-19-9-16(26(27,28)29)3-4-20(19)32-14-33-23/h3-4,9-10,14-15,17-18,37H,5-8,11-13H2,1-2H3,(H,34,36)(H,30,32,33)
PubChem CID	68004010
ChEMBL	CHEMBL3704096
IUPHAR	N/A
BindingDB	163452
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	22.0 nM	, None	BindingDB,ChEMBL

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