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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

NameCHEMBL184185
Molecular formulaC14H11BrClN3O3
IUPAC name3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxybenzamide
Molecular weight384.614
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP2.9
Synonyms3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-benzamide
BDBM50152759
SCHEMBL6550734
Inchi KeyHXWAIGPPSSSOED-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H11BrClN3O3/c15-7-3-1-2-4-9(7)18-14(22)19-10-6-5-8(16)11(12(10)20)13(17)21/h1-6,20H,(H2,17,21)(H2,18,19,22)
PubChem CID44393541
ChEMBLCHEMBL184185
IUPHARN/A
BindingDB50152759
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC506037.0 nMPMID15357956BindingDB,ChEMBL

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