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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

NameCHEMBL108959
Molecular formulaC26H33BrN4O2
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-pyridin-3-ylmethanone
Molecular weight513.48
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.6
Synonyms[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(3-pyridyl)methanone
{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-pyridin-3-yl-methanone
BDBM50115551
Pyridine, 3-[[4-[(Z)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-
Inchi KeyOXWJECATMBDYIK-RMLRFSFXSA-N
Inchi IDInChI=1S/C26H33BrN4O2/c1-3-33-29-24(20-6-8-23(27)9-7-20)21-10-15-31(16-11-21)26(2)12-17-30(18-13-26)25(32)22-5-4-14-28-19-22/h4-9,14,19,21H,3,10-13,15-18H2,1-2H3/b29-24+
PubChem CID9579319
ChEMBLCHEMBL108959
IUPHARN/A
BindingDB50115551
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<30.0 nMPMID12086500BindingDB,ChEMBL

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