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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

Namebeta-Escin
Molecular formulaC55H86O24
IUPAC name(2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Molecular weight1131.27
Hydrogen bond acceptor24
Hydrogen bond donor13
XlogP0.7
SynonymsAescin
MLS002695979
11072-93-8
AS-15594
CHEMBL1875956
[ Show all ]
Inchi KeyAXNVHPCVMSNXNP-YSYFQUGBSA-N
Inchi IDInChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43?,44+,47+,48-,49-,51?,52-,53?,54-,55?/m1/s1
PubChem CID16211024
ChEMBLCHEMBL1875956
IUPHARN/A
BindingDB80094
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC507820.0 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC5016400.0 nMN/ABindingDB

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