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GPCR

NameC-C chemokine receptor type 5
SpeciesMus musculus (Mouse)
GeneCcr5
SynonymCKR5
CHEMR13
chemokine (C-C motif) receptor 5 (gene/pseudogene)
CD195
CCR5
[ Show all ]
DiseaseN/A for non-human GPCRs
Length354
Amino acid sequenceMDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL
UniProtP51682
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3676
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL110730
Molecular formulaC28H37BrN4O3
IUPAC name3-[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
Molecular weight557.533
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
Synonyms[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2-hydroxy-4,6-dimethyl-3-pyridyl)methanone
{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2-hydroxy-4,6-dimethyl-pyridin-3-yl)-methanone
BDBM50115532
Pyridine, 3-[[4-[(Z)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-2-hydroxy-4,6-dimethyl-
4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-1''-[(2-hydroxy-4,6-dimethyl-3-pyridinyl)carbonyl]-4''-methyl-1,4''-bipiperidine
Inchi KeyNSNVDTQEDMRJDI-QCKNELIISA-N
Inchi IDInChI=1S/C28H37BrN4O3/c1-5-36-31-25(21-6-8-23(29)9-7-21)22-10-14-33(15-11-22)28(4)12-16-32(17-13-28)27(35)24-19(2)18-20(3)30-26(24)34/h6-9,18,22H,5,10-17H2,1-4H3,(H,30,34)/b31-25+
PubChem CID9579321
ChEMBLCHEMBL110730
IUPHARN/A
BindingDB50115532
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki43.0 nMPMID12086500BindingDB,ChEMBL

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