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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 type 2
Species	Rattus norvegicus (Rat)
Gene	Ccr2
Synonym	CKR2 chemokine receptor CCR2 chemokine (C-C motif) receptor 2 CD192 CCR2B CCR2A CCR2 CCR-2 CC-CKR-2 CC CKR2 C-C CKR-2 MCP-1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	373
Amino acid sequence	MEDSNMLPQFIHGILSTSHSLFPRSIQELDEGATTPYDYDDGEPCHKTSVKQIGAWILPPLYSLVFIFGFVGNMLVIIILISCKKLKSMTDIYLFNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKLFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVITSVVTWVVAVFASLPGIIFTKSEQEDDQHTCGPYFPTIWKNFQTIMRNILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLFLTTFQEFLGMSNCVVDMHLDQAMQVTETLGMTHCCVNPIIYAFVGEKFRRYLSIFFRKHIAKNLCKQCPVFYRETADRVSSTFTPSTGEQEVSVGL
UniProt	O55193
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1293204
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SCHEMBL2512772
Molecular formula	C18H26ClF3N6O2S
IUPAC name	4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
Molecular weight	482.951
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	2.1
Synonyms	4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide CHEMBL3770912 BVIJCXFDGHSEMW-LLVKDONJSA-N
Inchi Key	BVIJCXFDGHSEMW-LLVKDONJSA-N
Inchi ID	InChI=1S/C18H26ClF3N6O2S/c1-17(2,3)28-5-4-23-11(10-28)14(29)26-6-8-27(9-7-26)16(30)25-15-24-12(13(19)31-15)18(20,21)22/h11,23H,4-10H2,1-3H3,(H,24,25,30)/t11-/m1/s1
PubChem CID	86642531
ChEMBL	CHEMBL3770912
IUPHAR	N/A
BindingDB	N/A
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	1.3 nM	MedChemComm, (2015) 6:12:2140	ChEMBL

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