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GPCR

NameC-C chemokine receptor type 5
SpeciesRattus norvegicus (Rat)
GeneCcr5
SynonymCKR5
CHEMR13
chemokine (C-C motif) receptor 5 (gene/pseudogene)
CD195
CCR5
[ Show all ]
DiseaseN/A for non-human GPCRs
Length354
Amino acid sequenceMDFQGSIPTYIYDIDYSMSAPCQKVNVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSMTDIYLFNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKLFTGIYHIGYFGGIFFIILLTIDRYLAIVHAVFAIKARTVNFGVITSVVTWVVAVFVSLPEIIFMRSQKEGSHYTCSPHFLHIQYRFWKHFQTLKMVILSLILPLLVMVICYSGILNTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEYFGLNNCSSSNRLDQAMQVTETLGMTHCCLNPVIYAFVGEKFRNYLSVFFRKHIVKRFCKHCSIFQQVNPDRVSSVYTRSTGEQEVSTGL
UniProtO08556
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1795146
IUPHARN/A
DrugBankN/A

Ligand

NameAplaviroc hydrochloride
Molecular formulaC33H44ClN3O6
IUPAC name4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid;hydrochloride
Molecular weight614.18
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogPNone
SynonymsAplaviroc HCl
UNII-04D148Z3VR
Aplaviroc hydrochloride [USAN]
04D148Z3VR
GW873140A
[ Show all ]
Inchi KeyQNNBMSGFNQRUEH-PQQSRXGVSA-N
Inchi IDInChI=1S/C33H43N3O6.ClH/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40;/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40);1H/t28-,29-;/m1./s1
PubChem CID6918686
ChEMBLCHEMBL1668019
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC5030000.0 nMPMID21658961ChEMBL

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