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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.
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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	SCHEMBL9999319
Molecular formula	C23H29F3N6O2
IUPAC name	N-ethyl-4-[3-[[2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxamide
Molecular weight	478.52
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	2.9
Synonyms	N-ethyl-4-(3-(2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamido)azetidin-1-yl)cyclohexanecarboxamide CHEMBL3704135 BDBM163500 LTFZAEGSTMTPGB-UHFFFAOYSA-N US9062048, 127
Inchi Key	LTFZAEGSTMTPGB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29F3N6O2/c1-2-27-22(34)14-3-6-17(7-4-14)32-11-16(12-32)31-20(33)10-28-21-18-9-15(23(24,25)26)5-8-19(18)29-13-30-21/h5,8-9,13-14,16-17H,2-4,6-7,10-12H2,1H3,(H,27,34)(H,31,33)(H,28,29,30)
PubChem CID	54769306
ChEMBL	CHEMBL3704135
IUPHAR	N/A
BindingDB	163500
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	200.0 nM	, None	BindingDB,ChEMBL

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