Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

GPCR

NameC-X-C chemokine receptor type 2
SpeciesHomo sapiens (Human)
GeneCXCR2
Synonymchemokine (C-X-C motif) receptor 2
KC receptor
CD128
IL8RB
IL-8R2
[ Show all ]
DiseaseCystic fibrosis; Chronic obstructive pulmonary disease
Asthma
Cancer
Ischemia-reperfusion injury; Lung transplantation; Graft rejection in heart transplantation
Fungal infections
[ Show all ]
Length360
Amino acid sequenceMEDFNMESDSFEDFWKGEDLSNYSYSSTLPPFLLDAAPCEPESLEINKYFVVIIYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRYLVKFICLSIWGLSLLLALPVLLFRRTVYSSNVSPACYEDMGNNTANWRMLLRILPQSFGFIVPLLIMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQETCERRNHIDRALDATEILGILHSCLNPLIYAFIGQKFRHGLLKILAIHGLISKDSLPKDSRPSFVGSSSGHTSTTL
UniProtP25025
Protein Data BankN/A
GPCR-HGmod modelP25025
3D structure modelThis predicted structure model is from GPCR-EXP P25025.
BioLiPN/A
Therapeutic Target DatabaseT56923
ChEMBLCHEMBL2434
IUPHAR69
DrugBankN/A

Ligand

NameCHEMBL3658252
Molecular formulaC19H15FN8OS
IUPAC name6-[(2,4-diaminopteridin-6-yl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
Molecular weight422.442
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP1.4
SynonymsBDBM150868
US8981106, 57
Inchi KeyAGMZOOCJFASGNU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15FN8OS/c20-11-2-4-12(5-3-11)26-18(29)10-1-6-14(23-7-10)30-9-13-8-24-17-15(25-13)16(21)27-19(22)28-17/h1-8H,9H2,(H,26,29)(H4,21,22,24,27,28)
PubChem CID46896368
ChEMBLCHEMBL3658252
IUPHARN/A
BindingDB150868
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nM, NoneBindingDB,ChEMBL

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218