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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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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

Known ligands

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Total entries: 368
Page:  / 4 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
20342D structureCHEMBL216602C20H21N3O5383.4047 / 32.6Yes
4418432D structureCHEMBL3426944C20H15BF4N2O4S466.21410 / 3N/AN/A
4633422D structureCHEMBL3704558C25H25N3O7479.4899 / 32.8Yes
4634032D structureCHEMBL3704567C19H18ClN3O5403.8197 / 32.2Yes
5339252D structureCHEMBL3976863C29H32FN3O6S569.64810 / 24.6No
5362672D structureSCHEMBL1198501C18H16ClF2N3O6S475.8489 / 42.9Yes
126552D structureCHEMBL220182C23H23N3O6437.4528 / 33.4Yes
126812D structureCHEMBL26830C14H9BrClN3O2366.5993 / 33.7Yes
134492D structureCHEMBL250689C28H36FN3O2465.6134 / 25.2No
4645212D structureCHEMBL3609011C19H18BFN4O3380.1867 / 3N/AN/A
5364122D structureSCHEMBL1199104C17H18Cl2N4O4S445.3156 / 42.6Yes
168372D structureCHEMBL562781C23H25N3O4407.476 / 34.0Yes
5579332D structureCHEMBL253921C20H25N5O5S447.517 / 32.7Yes
4656522D structureCHEMBL3704566C20H21N3O6399.4038 / 31.5Yes
5579892D structureSCHEMBL13207001C19H23N5O4S417.4847 / 32.5Yes
5580282D structureCHEMBL464509C20H23N5O2S397.4977 / 34.6Yes
5366162D structureCHEMBL3956601C23H24ClN3O5S489.9718 / 34.0Yes
4660682D structureCHEMBL3609001C20H19BFN3O3379.1986 / 3N/AN/A
280932D structureCHEMBL184583C18H17ClN2O2328.7964 / 04.4Yes
311532D structureCHEMBL247356C25H31N3O5453.5397 / 34.7Yes
4671942D structureCHEMBL3609017C19H17BFN5O5425.18310 / 4N/AN/A
379122D structureCHEMBL220860C17H18ClN5O3S407.8736 / 33.7Yes
399502D structureCHEMBL496452C29H46O5474.6825 / 25.3No
4679112D structureCHEMBL3609014C24H21BFN5O3457.2728 / 3N/AN/A
422142D structureCHEMBL361312C20H21ClN2O2356.854 / 04.7Yes
437772D structureCHEMBL402952C26H24ClN3O5493.9447 / 35.0Yes
5586722D structureBDBM50227009C20H23N5O4S429.4957 / 32.4Yes
465682D structureCHEMBL387136C24H28BrClN6O5S627.9399 / 53.5No
4688362D structureCHEMBL3704556C25H27N3O6465.5068 / 33.0Yes
5372152D structureSCHEMBL1198311C17H16Cl2FN3O4S448.296 / 43.0Yes
5372172D structureSCHEMBL1199471C17H16Cl2FN3O4S448.296 / 43.0Yes
497792D structureCHEMBL218665C17H15BrF3N5O3S506.2989 / 34.3No
530542D structure1269775-42-9C24H34ClN7O3504.0327 / 3N/ANo
548852D structureCHEMBL491506C21H21F2N3O5433.4129 / 33.2Yes
559512D structureCHEMBL27446C14H9BrClN3O2366.5993 / 33.2Yes
565392D structurediclofenacC14H11Cl2NO2296.1473 / 24.4Yes
567772D structureCHEMBL394899C24H29N3O5439.5127 / 34.4Yes
572082D structureCHEMBL491487C22H24FN3O5429.4488 / 33.2Yes
4702332D structureCHEMBL3609002C19H17BFN3O3365.1716 / 4N/AN/A
593392D structure473728-58-4C23H27N3O5425.4857 / 33.8Yes
627302D structure(R)-KetoprofenC16H14O3254.2853 / 13.1Yes
627312D structureketoprofenC16H14O3254.2853 / 13.1Yes
4708152D structureCHEMBL3701184C24H27N3O6453.4958 / 32.8Yes
4708162D structureCHEMBL3609004C19H17BFN3O3365.1716 / 4N/AN/A
645912D structureCHEMBL218486C25H32BrClN6O4S627.9838 / 46.1No
667952D structureCHEMBL401512C22H22FN3O4411.4337 / 33.7Yes
683962D structureCHEMBL253052C21H21F2N3O5433.4129 / 33.4Yes
718742D structureCHEMBL246106C24H29N3O5439.5127 / 34.6Yes
728012D structureCHEMBL283736C13H11N3O4273.2484 / 32.5Yes
5378162D structureSCHEMBL1197995C18H19ClFN3O4S427.8756 / 42.8Yes
5597552D structureCHEMBL522959C23H27N5O4S469.569 / 35.3No
5597912D structureSCHEMBL13207006C21H27N5O4S445.5387 / 33.3Yes
806992D structureCHEMBL562950C20H20BrN3O4S478.3617 / 34.0Yes
5379952D structureSCHEMBL1198537C21H23ClFN3O4S467.946 / 43.8Yes
823932D structureCHEMBL183061C18H17ClN2O2328.7964 / 04.4Yes
842102D structureCHEMBL246941C22H25N3O5411.4587 / 33.3Yes
859332D structureCHEMBL183103C21H22ClN3O3399.8756 / 04.1Yes
860092D structureCHEMBL2324200C20H10I4O4821.9144 / 26.4No
876282D structureCHEMBL550945C21H23N3O4S413.4927 / 33.7Yes
883532D structureCHEMBL415446C21H23N3O4S413.4927 / 33.7Yes
5600682D structureCID 136036526C21H24FN5O3S445.5136 / 34.0Yes
919992D structureCHEMBL472749C20H20FN3O5401.3948 / 32.6Yes
920792D structureCHEMBL430116C19H20N4O5384.3928 / 32.0Yes
4744782D structureCHEMBL3701183C23H24FN3O6457.4589 / 32.3Yes
941182D structureCHEMBL359670C13H11BrClN3O4S420.6625 / 42.6Yes
4745602D structureCHEMBL3701192C25H27N3O7481.5059 / 32.1Yes
5602462D structureSCHEMBL13207037C21H27N5O4S445.5387 / 33.3Yes
963272D structureCHEMBL254516C26H24ClN3O5493.9447 / 35.0Yes
1006312D structureCHEMBL184882C22H25FN4O2396.4667 / 03.7Yes
1016452D structureCHEMBL246107C28H36N4O6524.6189 / 33.3No
1017232D structureCHEMBL393047C13H9BrClN3O3S402.6474 / 32.7Yes
1056972D structureCHEMBL218744C23H29BrN6O4S565.4878 / 44.7No
1086122D structureCHEMBL294095C14H13FN2O4S324.3265 / 10.7Yes
1086532D structureCHEMBL404490C20H20ClN3O5417.8467 / 33.7Yes
1086552D structureCHEMBL253051C20H20ClN3O5417.8467 / 33.7Yes
5387062D structureCHEMBL3913959C22H24ClN3O6S2526.01910 / 33.7No
5344012D structureCHEMBL3915145C27H29N3O7S539.60310 / 33.8No
5344032D structureCHEMBL3901913C27H29N3O7S539.60310 / 33.8No
1125572D structureCHEMBL473959C19H16F3N3O5423.34810 / 32.9Yes
1132242D structureCHEMBL363840C28H36FN7O505.6426 / 24.8No
1145242D structureCHEMBL252697C19H20N4O5384.3928 / 32.0Yes
1166732D structureCHEMBL561812C24H27N3O4421.4976 / 34.4Yes
1174242D structureCHEMBL245500C21H23N3O4S413.4927 / 33.7Yes
1186092D structureCHEMBL185176C22H24N2O2348.4464 / 04.4Yes
5610192D structureCID 136036533C21H27N5O4S445.5386 / 33.8Yes
1205642D structureCHEMBL253706C25H26N4O6478.5059 / 33.6Yes
1267542D structureCHEMBL184185C14H11BrClN3O3384.6143 / 42.9Yes
4785732D structureCHEMBL3704559C25H27N3O6465.5068 / 31.8Yes
1282992D structureCHEMBL523645C21H18F5N3O5487.38312 / 34.0No
5392512D structureCHEMBL3915853C24H27N3O5S469.5568 / 33.6Yes
1298832D structureCHEMBL451438C33H52O8576.7718 / 25.1No
1359142D structureCHEMBL254370C22H23N3O4393.4436 / 33.6Yes
5615352D structureCHEMBL253702C21H25N5O5S459.5217 / 32.5Yes
1387122D structureCHEMBL464301C21H18F3N3O4433.3879 / 33.8Yes
4802122D structureCHEMBL3609018C24H21BFN5O3457.2728 / 3N/AN/A
1451282D structureCHEMBL425985C22H20ClN5O3S469.9446 / 35.0Yes
1461782D structureCHEMBL523807C19H14Cl2F3N3O5492.23210 / 34.5Yes
1464502D structureCHEMBL363746C24H26F3N3O2445.4868 / 04.8Yes
5397332D structureCHEMBL3904195C25H27N3O7S513.56510 / 33.3No
1467592D structureCHEMBL218115C20H21N3O5383.4047 / 32.7Yes

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