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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

NameCHEMBL2179463
Molecular formulaC198H194F156N26P26
IUPAC name1-[[3-[[4-[1-[[3-[4-[1-[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-5-[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-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-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(4-ethylpyridin-1-ium-1-yl)pyridin-1-ium;hexacosahexafluorophosphate
Molecular weight6706.98
Hydrogen bond acceptor182
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyMIDPLAMGMZXRIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C198H194N26.26F6P/c1-9-155-17-115-222(116-18-155)196-67-113-221(114-68-196)150-167-131-165(148-212-95-45-185(46-96-212)178-31-81-205(16-8)82-32-178)130-166(132-167)149-216-103-53-189(54-104-216)193-61-111-220(112-62-193)154-171-134-170(153-219-109-59-192(60-110-219)188-51-101-215(102-52-188)147-164-128-160(143-210-91-41-183(42-92-210)176-27-77-203(14-6)78-28-176)123-161(129-164)144-211-93-43-184(44-94-211)177-29-79-204(15-7)80-30-177)137-198(138-171)224-119-65-195(66-120-224)194-63-117-223(118-64-194)197-135-168(151-217-105-55-190(56-106-217)186-47-97-213(98-48-186)145-162-124-156(139-206-83-33-179(34-84-206)172-19-69-199(10-2)70-20-172)121-157(125-162)140-207-85-35-180(36-86-207)173-21-71-200(11-3)72-22-173)133-169(136-197)152-218-107-57-191(58-108-218)187-49-99-214(100-50-187)146-163-126-158(141-208-87-37-181(38-88-208)174-23-73-201(12-4)74-24-174)122-159(127-163)142-209-89-39-182(40-90-209)175-25-75-202(13-5)76-26-175;26*1-7(2,3,4,5)6/h17-138H,9-16,139-154H2,1-8H3;;;;;;;;;;;;;;;;;;;;;;;;;;/q+26;26*-1
PubChem CID71453766
ChEMBLCHEMBL2179463
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
IC5080.92 ug.mL-1PMID23157587ChEMBL

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