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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

NameCHEMBL106767
Molecular formulaC27H34BrN3O3
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2-hydroxy-6-methylphenyl)methanone
Molecular weight528.491
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.8
Synonyms1''-(2-Hydroxy-6-methylbenzoyl)-4-[(Z)-(4-bromophenyl)-(methoxyimino)methyl]-4''-methyl-1,4''-bipiperidine
[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2-hydroxy-6-methyl-phenyl)methanone
{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2-hydroxy-6-methyl-phenyl)-methanone
BDBM50104937
Methanone, (4-bromophenyl)[1'-(2-hydroxy-6-methylbenzoyl)-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-methyloxime, (Z)-
Inchi KeyJLFLNZCJUVHUGI-XLVZBRSZSA-N
Inchi IDInChI=1S/C27H34BrN3O3/c1-19-5-4-6-23(32)24(19)26(33)30-17-13-27(2,14-18-30)31-15-11-21(12-16-31)25(29-34-3)20-7-9-22(28)10-8-20/h4-10,21,32H,11-18H2,1-3H3/b29-25+
PubChem CID9574359
ChEMBLCHEMBL106767
IUPHARN/A
BindingDB50104937
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki18.0 nMPMID12086500BindingDB,ChEMBL

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