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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

NameCHEMBL2434978
Molecular formulaC32H36N4O4S
IUPAC name4-[5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]sulfanylbenzoic acid
Molecular weight572.724
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.1
SynonymsBDBM50441716
SCHEMBL5575492
Inchi KeyBZKHTWAGPLWPPO-LJAQVGFWSA-N
Inchi IDInChI=1S/C32H36N4O4S/c37-31(38)25-7-9-28(10-8-25)41-30-11-6-23(20-33-30)21-34-16-12-27(13-17-34)36-29(24-4-2-1-3-5-24)22-35(32(36)39)26-14-18-40-19-15-26/h1-11,20,26-27,29H,12-19,21-22H2,(H,37,38)/t29-/m0/s1
PubChem CID16041411
ChEMBLCHEMBL2434978
IUPHARN/A
BindingDB50441716
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition90.1 %PMID24090135ChEMBL

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