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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 4
SpeciesHomo sapiens (Human)
GeneCXCR4
SynonymLESTR
LESTR {ECO:0000303|PubMed:8276799}
Stromal cell-derived factor 1 receptor
LCR1
LAP-3
[ Show all ]
DiseaseN/A
Length352
Amino acid sequenceMEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
UniProtP61073
Protein Data Bank3oe9, 3oe8, 3oe6, 3odu
GPCR-HGmod modelP61073
3D structure modelThis structure is from PDB ID 3oe9.
BioLiPBL0187218, BL0187262,BL0187263, BL0187259,BL0187260,BL0187261, BL0187197,BL0187198
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2107
IUPHAR71
DrugBankBE0000919

Known ligands

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Total entries: 873
Page:  / 9 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
5359282D structureCHEMBL3972873C27H32N6O456.5945 / 22.2Yes
5359292D structureCHEMBL3981053C27H32N6O456.5945 / 22.2Yes
18012D structureCHEMBL536302C14H21IN6400.2682 / 5N/AN/A
20382D structureCHEMBL218806C37H49N11O6743.878 / 90.2No
20392D structureCHEMBL374421C37H49N11O6743.878 / 90.2No
5479332D structureCHEMBL3933958C26H36N8O2S524.6885 / 40.8No
5479342D structureCHEMBL3897010C26H36N8O2S524.6885 / 40.8No
37162D structureCHEMBL2031828C39H42FN7O2659.816 / 44.7No
37172D structureCHEMBL2031696C39H42FN7O2659.816 / 44.7No
5479432D structureCHEMBL3969980C19H17F2N3325.3635 / 24.1Yes
55662D structureCHEMBL2180085C37H46F3N9O8801.82513 / 10N/ANo
70282D structureCHEMBL1956255C36H47N11O5713.8447 / 90.4No
79802D structureCHEMBL460483C20H30N2S330.5342 / 15.7No
5362342D structureCHEMBL3958178C24H27N5385.5154 / 22.3Yes
5362452D structureCHEMBL3946745C27H31N5425.584 / 23.7Yes
5362472D structureCHEMBL3935318C28H36N6456.6385 / 22.5Yes
5362482D structureCHEMBL3911032C28H36N6456.6385 / 22.5Yes
5362542D structureCHEMBL3974711C31H39N5O2513.6866 / 14.2No
107562D structureCHEMBL1682855C20H28N4324.4724 / 12.1Yes
114682D structureSCHEMBL6012808C23H35N3O2385.5523 / 13.7Yes
5363022D structureCHEMBL3925646C34H44N6O2568.7667 / 14.1No
127602D structureCID 56647929C98H134N24O222000.328 / 23-5.8No
128042D structureCHEMBL462588C23H38N4S2434.7054 / 15.3No
132742D structureSpermidine tris-PheGC28H37N9499.6673 / 52.9Yes
5480292D structureCHEMBL3941019C23H27N3345.493 / 25.5No
143472D structureBDBM50363969C77H98N18O141499.7416 / 162.1No
145712D structureCHEMBL2029608C37H48N10O5712.8567 / 91.2No
4647632D structureCHEMBL3581265C39H51N11O6769.9088 / 90.7No
4647662D structureCHEMBL3581273C39H51N11O6769.9088 / 90.7No
4647682D structureCHEMBL3581264C39H51N11O6769.9088 / 90.7No
4647692D structureCHEMBL3581271C39H51N11O6769.9088 / 90.7No
4647722D structureCHEMBL3581272C39H51N11O6769.9088 / 90.7No
4647732D structureCHEMBL3581270C39H51N11O6769.9088 / 90.7No
167192D structureCHEMBL1682990C18H26N4298.4344 / 11.7Yes
5480892D structureCHEMBL3902257C26H36N8O2S524.6885 / 40.7No
213422D structureCHEMBL3091682C26H38N4406.6184 / 23.8Yes
5365192D structureCHEMBL3901600C27H33N5427.5964 / 24.1Yes
5365202D structureCHEMBL3944558C27H33N5427.5964 / 24.1Yes
4425432D structureCHEMBL2031832C40H42FN7O3687.826 / 44.9No
226732D structureCHEMBL2031701C40H42FN7O3687.826 / 44.9No
234892D structureCHEMBL3091690C29H37N5455.655 / 13.3Yes
254132D structureCHEMBL1682864C22H32N4352.5264 / 12.9Yes
5366702D structureCHEMBL3976878C31H34N6490.6555 / 24.2Yes
5367182D structureCHEMBL3947926C31H38N6O2S558.7457 / 11.6No
5367222D structureCHEMBL434161C20H25N3O2S371.4995 / 13.9Yes
292672D structureCHEMBL235309C24H22N2338.4542 / 26.1No
5367392D structureCHEMBL3947569C36H37N5O2571.7255 / 05.7No
300102D structureCHEMBL2370126C80H135N33O18S21911.2928 / 30-11.2No
301112D structure1,4-benzenedimethanamine, 2,3,5,6-tetramethyl-C12H20N2192.3062 / 21.1Yes
303912D structureCHEMBL2031838C41H46FN7O2687.8646 / 45.7No
303922D structureCHEMBL2031821C41H46FN7O2687.8646 / 45.7No
306022D structureAC1LA88LC37H43N5O4621.7825 / 25.7No
5368262D structureCHEMBL3897039C21H23N3317.4363 / 24.6Yes
322512D structurem-TerephthalanisidideC22H20N2O4376.4124 / 23.5Yes
4668772D structureCHEMBL3581285C30H47N11O6657.7778 / 8-1.9No
337422D structureCHEMBL2370132C90H140N32O19S22038.4428 / 30-8.0No
5483112D structureCHEMBL3923084C139H221N45O31S23082.743 / 50-7.0No
364472D structureCHEMBL105659C34H40N4O2536.724 / 06.7No
365252D structureCHEMBL2434978C32H36N4O4S572.7247 / 12.1No
4674522D structureCHEMBL3187346C27H35N3O5481.5936 / 24.0Yes
370062D structureCHEMBL2170444C26H46N4414.6824 / 24.0Yes
370072D structureCHEMBL2170299C26H46N4414.6824 / 24.0Yes
370082D structureCHEMBL2170443C26H46N4414.6824 / 24.0Yes
386172D structureCHEMBL2031837C40H44FN7O2673.8376 / 45.2No
386182D structureCHEMBL2031820C40H44FN7O2673.8376 / 45.2No
398002D structureCHEMBL2031835C39H40FN7O3673.7936 / 44.4No
398012D structureCHEMBL2031818C39H40FN7O3673.7936 / 44.4No
412542D structureCHEMBL2180078C32H38N8O6630.7067 / 80.8No
417812D structureCHEMBL480114C27H34N10O2530.6374 / 70.0No
425292D structureCHEMBL2372996C89H137N31O20S22025.3928 / 30-8.0No
5228002D structureCHEMBL3828236C29H35N3425.623 / 05.0Yes
436372D structureCHEMBL2180077C38H48F3N11O8843.86613 / 11N/ANo
436382D structureCHEMBL2180076C38H48F3N11O8843.86613 / 11N/ANo
5228112D structureCHEMBL3827585C24H26F2N2380.4834 / 04.8Yes
5483932D structureCHEMBL3914095C136H215N43O31S23012.6143 / 48-7.9No
4434972D structureCHEMBL3357471C27H39N7O477.6573 / 42.4Yes
464322D structureCHEMBL1682860C19H27N5325.465 / 21.4Yes
477912D structureCHEMBL516480C20H28N4S2388.5924 / 14.0Yes
485812D structureCHEMBL1092629C21H25N5O363.4654 / 21.4Yes
5229562D structureCHEMBL3827508C15H23N3O2277.3685 / 0-0.2Yes
487212D structureCHEMBL450815C30H40N10O2572.7184 / 72.0No
487222D structureCHEMBL501494C30H40N10O2572.7184 / 72.0No
487232D structureCHEMBL450041C30H40N10O2572.7184 / 72.0No
489682D structureCHEMBL1802280C18H16F2N4326.3516 / 23.6Yes
490702D structureCHEMBL545063C30H57BrN6581.7326 / 5N/ANo
493322D structureCHEMBL3091692C29H41N5O2491.686 / 12.1Yes
496072D structureCHEMBL1802283C18H18N4290.374 / 23.5Yes
4690742D structureCHEMBL3188149C27H35N3O6497.5927 / 23.6Yes
503132D structureCHEMBL2370134C87H134N30O18S21952.3427 / 28-7.1No
509782D structureCHEMBL1088916C23H31N5377.5364 / 23.1Yes
5372592D structureCHEMBL3957139C31H40N6O512.7026 / 12.8No
5372602D structureCHEMBL3975192C31H40N6O512.7026 / 12.8No
5372652D structureCHEMBL3918137C33H31N5O2529.6445 / 04.3No
5372752D structureCHEMBL3965697C19H17N5O4379.3767 / 23.5Yes
521092D structureNSC 66832C10H16Cl2N8319.1944 / 6N/ANo
521402D structureAMD 3465C24H38N6410.616 / 40.8Yes
532402D structurePharmaGSID_48521C31H49N5O4555.7647 / 04.1No
543092D structureCHEMBL545532C28H51ClN4O4543.198 / 3N/ANo
4696372D structureCHEMBL3627799C26H37N5O2451.6156 / 22.1Yes
548242D structureBDBM50363983C103H142N26O242128.4330 / 23-8.0No

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