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GPCR

NameC-X-C chemokine receptor type 1
SpeciesHomo sapiens (Human)
GeneCXCR1
SynonymIL-8 receptor type I
CXCR1
CDw128a
High affinity interleukin-8 receptor A
IL-8 receptor alpha
[ Show all ]
DiseaseN/A
Length350
Amino acid sequenceMSNITDPQMWDFDDLNFTGMPPADEDYSPCMLETETLNKYVVIIAYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRHLVKFVCLGCWGLSMNLSLPFFLFRQAYHPNNSSPVCYEVLGNDTAKWRMVLRILPHTFGFIVPLFVMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQESCERRNNIGRALDATEILGFLHSCLNPIIYAFIGQNFRHGFLKILAMHGLVSKEFLARHRVTSYTSSSVNVSSNL
UniProtP25024
Protein Data BankN/A
GPCR-HGmod modelP25024
3D structure modelThis predicted structure model is from GPCR-EXP P25024.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4029
IUPHAR68
DrugBankBE0003552

Ligand

NameCHEMBL218486
Molecular formulaC25H32BrClN6O4S
IUPAC name2-(2-bromophenyl)-1-[4-chloro-3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pentan-3-ylsulfamoyl]-2-hydroxyphenyl]-3-cyanoguanidine
Molecular weight627.983
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP6.1
Synonyms3-(2-bromophenyl)-1-[4-chloro-3-({3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pentan-3-yl}sulfamoyl)-2-hydroxyphenyl]-2-cyanoguanidine
BDBM50193978
Inchi KeyDNQSYCVLRVJIIH-CALCHBBNSA-N
Inchi IDInChI=1S/C25H32BrClN6O4S/c1-5-25(6-2,33-13-16(3)37-17(4)14-33)32-38(35,36)23-19(27)11-12-21(22(23)34)31-24(29-15-28)30-20-10-8-7-9-18(20)26/h7-12,16-17,32,34H,5-6,13-14H2,1-4H3,(H2,29,30,31)/t16-,17+
PubChem CID44419473
ChEMBLCHEMBL218486
IUPHARN/A
BindingDB50193978
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
IC50215.0 nMPMID16934456BindingDB,ChEMBL

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