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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

NameTAK652
Molecular formulaC41H52N4O4S
IUPAC name8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
Molecular weight696.951
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP7.5
SynonymsTAK 652
(5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
GTPL801
TAK-652
KS-0000064B
[ Show all ]
Inchi KeyPNDKCRDVVKJPKG-DPDRHGIRSA-N
Inchi IDInChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/t50-/m0/s1
PubChem CID68533031
ChEMBLN/A
IUPHARN/A
BindingDB50422828
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID16539392BindingDB

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