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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

NameMLS001218739
Molecular formulaC21H29N3O4
IUPAC nameethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
Molecular weight387.48
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.7
SynonymsAKOS000431939
MCULE-8545941972
4-(1-o-toluoylisonipecotoyl)piperazine-1-carboxylic acid ethyl ester
MolPort-002-001-314
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
[ Show all ]
Inchi KeyTWYGQKIOVPITPN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29N3O4/c1-3-28-21(27)24-14-12-23(13-15-24)19(25)17-8-10-22(11-9-17)20(26)18-7-5-4-6-16(18)2/h4-7,17H,3,8-15H2,1-2H3
PubChem CID3152307
ChEMBLCHEMBL1700182
IUPHARN/A
BindingDB80050
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<66600.0 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC5024400.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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