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GPCR

NameC-C chemokine receptor type 6
SpeciesHomo sapiens (Human)
GeneCCR6
SynonymDRY6
G-protein coupled receptor 29
GPR-CY4
GPR29
GPRCY4
[ Show all ]
DiseaseN/A
Length374
Amino acid sequenceMSGESMNFSDVFDSSEDYFVSVNTSYYSVDSEMLLCSLQEVRQFSRLFVPIAYSLICVFGLLGNILVVITFAFYKKARSMTDVYLLNMAIADILFVLTLPFWAVSHATGAWVFSNATCKLLKGIYAINFNCGMLLLTCISMDRYIAIVQATKSFRLRSRTLPRSKIICLVVWGLSVIISSSTFVFNQKYNTQGSDVCEPKYQTVSEPIRWKLLMLGLELLFGFFIPLMFMIFCYTFIVKTLVQAQNSKRHKAIRVIIAVVLVFLACQIPHNMVLLVTAANLGKMNRSCQSEKLIGYTKTVTEVLAFLHCCLNPVLYAFIGQKFRNYFLKILKDLWCVRRKYKSSGFSCAGRYSENISRQTSETADNDNASSFTM
UniProtP51684
Protein Data BankN/A
GPCR-HGmod modelP51684
3D structure modelThis predicted structure model is from GPCR-EXP P51684.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4423
IUPHARN/A
DrugBankN/A

Ligand

NameMLS001242636
Molecular formulaC31H51N3
IUPAC name(2S)-2-N-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenylpropyl]-3-cyclohexyl-1-N-methylpropane-1,2-diamine
Molecular weight465.77
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP7.9
SynonymsBDBM51930
(2S)-2-N-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenylpropyl]-3-cyclohexyl-1-N-methylpropane-1,2-diamine
cid_24792594
2-(1-adamantyl)ethyl-[(1S)-1-benzyl-2-[[(1S)-1-(cyclohexylmethyl)-2-(methylamino)ethyl]amino]ethyl]amine
REGID_for_CID_24792594
[ Show all ]
Inchi KeyGQKCBYFGTYNZCM-XGGBRTKESA-N
Inchi IDInChI=1S/C31H51N3/c1-32-22-29(17-24-8-4-2-5-9-24)34-23-30(18-25-10-6-3-7-11-25)33-13-12-31-19-26-14-27(20-31)16-28(15-26)21-31/h3,6-7,10-11,24,26-30,32-34H,2,4-5,8-9,12-23H2,1H3/t26?,27?,28?,29-,30-,31?/m0/s1
PubChem CID24792594
ChEMBLCHEMBL1491847
IUPHARN/A
BindingDB51930
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5021400.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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