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GPCR

NameC-X-C chemokine receptor type 5
SpeciesHomo sapiens (Human)
GeneCXCR5
SynonymBLR-1
NLR
neurolymphatic receptor
Monocyte-derived receptor 15
MDR15
[ Show all ]
DiseaseSystemic lupus erythematosus
Length372
Amino acid sequenceMNYPLTLEMDLENLEDLFWELDRLDNYNDTSLVENHLCPATEGPLMASFKAVFVPVAYSLIFLLGVIGNVLVLVILERHRQTRSSTETFLFHLAVADLLLVFILPFAVAEGSVGWVLGTFLCKTVIALHKVNFYCSSLLLACIAVDRYLAIVHAVHAYRHRRLLSIHITCGTIWLVGFLLALPEILFAKVSQGHHNNSLPRCTFSQENQAETHAWFTSRFLYHVAGFLLPMLVMGWCYVGVVHRLRQAQRRPQRQKAVRVAILVTSIFFLCWSPYHIVIFLDTLARLKAVDNTCKLNGSLPVAITMCEFLGLAHCCLNPMLYTFAGVKFRSDLSRLLTKLGCTGPASLCQLFPSWRRSSLSESENATSLTTF
UniProtP32302
Protein Data BankN/A
GPCR-HGmod modelP32302
3D structure modelThis predicted structure model is from GPCR-EXP P32302.
BioLiPN/A
Therapeutic Target DatabaseT09528
ChEMBLCHEMBL1075315
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2179458
Molecular formulaC174H174F108N30O12P18
IUPAC name1-[3-[4-[1-[[3-[[4-[1-[[3,5-bis[[4-[1-[[3,5-bis[[4-[1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-[[4-[1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-5-methylpyrimidine-2,4-dione;octadecahexafluorophosphate
Molecular weight5486.86
Hydrogen bond acceptor138
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyIZRYPUTVERTOHV-UHFFFAOYSA-T
Inchi IDInChI=1S/C174H168N30O12.18F6P/c1-127-109-199(169(211)175-163(127)205)55-7-49-181-61-13-145(14-62-181)151-25-73-187(74-26-151)115-133-97-134(116-188-75-27-152(28-76-188)146-15-63-182(64-16-146)50-8-56-200-110-128(2)164(206)176-170(200)212)101-139(100-133)121-193-85-37-157(38-86-193)160-43-91-196(92-44-160)124-142-106-143(125-197-93-45-161(46-94-197)158-39-87-194(88-40-158)122-140-102-135(117-189-77-29-153(30-78-189)147-17-65-183(66-18-147)51-9-57-201-111-129(3)165(207)177-171(201)213)98-136(103-140)118-190-79-31-154(32-80-190)148-19-67-184(68-20-148)52-10-58-202-112-130(4)166(208)178-172(202)214)108-144(107-142)126-198-95-47-162(48-96-198)159-41-89-195(90-42-159)123-141-104-137(119-191-81-33-155(34-82-191)149-21-69-185(70-22-149)53-11-59-203-113-131(5)167(209)179-173(203)215)99-138(105-141)120-192-83-35-156(36-84-192)150-23-71-186(72-24-150)54-12-60-204-114-132(6)168(210)180-174(204)216;18*1-7(2,3,4,5)6/h13-48,61-114H,7-12,49-60,115-126H2,1-6H3;;;;;;;;;;;;;;;;;;/q+12;18*-1/p+6
PubChem CID71457283
ChEMBLCHEMBL2179458
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC5010.25 ug.mL-1PMID23157587ChEMBL

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