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GPCR

NameC-C chemokine receptor type 7
SpeciesHomo sapiens (Human)
GeneCCR7
SynonymMIP-3 beta receptor
Epstein-Barr virus-induced G-protein coupled receptor 1
EBV-induced G-protein coupled receptor 1
EBI1
EBI-1
[ Show all ]
DiseaseN/A
Length378
Amino acid sequenceMDLGKPMKSVLVVALLVIFQVCLCQDEVTDDYIGDNTTVDYTLFESLCSKKDVRNFKAWFLPIMYSIICFVGLLGNGLVVLTYIYFKRLKTMTDTYLLNLAVADILFLLTLPFWAYSAAKSWVFGVHFCKLIFAIYKMSFFSGMLLLLCISIDRYVAIVQAVSAHRHRARVLLISKLSCVGIWILATVLSIPELLYSDLQRSSSEQAMRCSLITEHVEAFITIQVAQMVIGFLVPLLAMSFCYLVIIRTLLQARNFERNKAIKVIIAVVVVFIVFQLPYNGVVLAQTVANFNITSSTCELSKQLNIAYDVTYSLACVRCCVNPFLYAFIGVKFRNDLFKLFKDLGCLSQEQLRQWSSCRHIRRSSMSVEAETTTTFSP
UniProtP32248
Protein Data BankN/A
GPCR-HGmod modelP32248
3D structure modelThis predicted structure model is from GPCR-EXP P32248.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4594
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2435852
Molecular formulaC33H38N4O5
IUPAC name4-[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]oxybenzoic acid
Molecular weight570.69
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.0
Synonyms4-(6-Methyl-5-{4-[(R)-2-oxo-5-phenyl-3-(tetrahydro-pyran-4-yl)-imidazolidin-1-yl]-piperidin-1-ylmethyl}-pyridin-2-yloxy)-benzoic acid
BDBM50441717
NAYZSSQGIKJDGG-PMERELPUSA-N
4-[[6-Methyl-5-[[4-[(5R)-2-oxo-5-phenyl-3-(tetrahydro-2H-pyran-4-yl)imidazolidine-1-yl]piperidino]methyl]pyridine-2-yl]oxy]benzoic acid
SCHEMBL4597450
Inchi KeyNAYZSSQGIKJDGG-PMERELPUSA-N
Inchi IDInChI=1S/C33H38N4O5/c1-23-26(9-12-31(34-23)42-29-10-7-25(8-11-29)32(38)39)21-35-17-13-28(14-18-35)37-30(24-5-3-2-4-6-24)22-36(33(37)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H,38,39)/t30-/m0/s1
PubChem CID58835024
ChEMBLCHEMBL2435852
IUPHARN/A
BindingDB50441717
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition83.8 %PMID24090135ChEMBL

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