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GPCR

NameC-C chemokine receptor type 2
SpeciesHomo sapiens (Human)
GeneCCR2
SynonymMCP-1-R
Monocyte chemoattractant protein 1 receptor
CKR2
MCP-1 receptor
chemokine receptor CCR2
[ Show all ]
DiseaseChronic obstructive pulmonary disease
Neuropathic pain
Multiple scierosis
Metastatic cancer; Multiple scierosis
Inflammatory disease
[ Show all ]
Length374
Amino acid sequenceMLSTSRSRFIRNTNESGEEVTTFFDYDYGAPCHKFDVKQIGAQLLPPLYSLVFIFGFVGNMLVVLILINCKKLKCLTDIYLLNLAISDLLFLITLPLWAHSAANEWVFGNAMCKLFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWLVAVFASVPGIIFTKCQKEDSVYVCGPYFPRGWNNFHTIMRNILGLVLPLLIMVICYSGILKTLLRCRNEKKRHRAVRVIFTIMIVYFLFWTPYNIVILLNTFQEFFGLSNCESTSQLDQATQVTETLGMTHCCINPIIYAFVGEKFRSLFHIALGCRIAPLQKPVCGGPGVRPGKNVKVTTQGLLDGRGKGKSIGRAPEASLQDKEGA
UniProtP41597
Protein Data Bank6gpx, 6gps
GPCR-HGmod modelP41597
3D structure modelThis structure is from PDB ID 6gpx.
BioLiPBL0437328,BL0437329, BL0437327, BL0437326, BL0437325
Therapeutic Target DatabaseT89988
ChEMBLCHEMBL4015
IUPHAR59
DrugBankN/A

Ligand

NameCHEMBL494191
Molecular formulaC24H32F6N2O2
IUPAC name(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
Molecular weight494.522
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.3
Synonyms(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl )-1-isopropyl-3-(3-methyltetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide
(1S,3R)-N-(3,5-bis(tri fluoromethyl)benzyl)-1-isopropyl-3-(3-methyltetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide
(1S,3R)-N-(3,5-bis(trifluoro methyl)benzyl)-1-isopropyl-3-(3-methyltetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide
BDBM50257994
(1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso propyl-3-(3-methyltetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide
[ Show all ]
Inchi KeyAWFVUZFXTNVVQX-YYKXFKMVSA-N
Inchi IDInChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1
PubChem CID44593562
ChEMBLCHEMBL494191
IUPHARN/A
BindingDB50257994
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC500.1 nMPMID19237282BindingDB,ChEMBL
IC500.1 nMPMID19237282BindingDB
IC500.2 nMPMID19237282BindingDB,ChEMBL
IC501.0 nMPMID19237282ChEMBL
IC501.2 nMPMID19237282BindingDB,ChEMBL
IC501.5 nMPMID19237282BindingDB,ChEMBL
IC504.0 nMPMID19237282BindingDB,ChEMBL
IC5042.0 nMPMID19237282BindingDB,ChEMBL
IC50238.78 nMMed Chem Res, (2012) 21:1:100ChEMBL

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