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
SpeciesOryctolagus cuniculus (Rabbit)
GeneCXCR2
SynonymCXC-R2
CXCR-2
GRO/MGSA receptor
High affinity interleukin-8 receptor B
IL-8R B
DiseaseN/A for non-human GPCRs
Length358
Amino acid sequenceMQEFTWENYSYEDFFGDFSNYSYSTDLPPTLLDSAPCRSESLETNSYVVLITYILVFLLSLLGNSLVMLVILYSRSTCSVTDVYLLNLAIADLLFATTLPIWAASKVHGWTFGTPLCKVVSLVKEVNFYSGILLLACISVDRYLAIVHATRTMIQKRHLVKFICLSMWGVSLILSLPILLFRNAIFPPNSSPVCYEDMGNSTAKWRMVLRILPQTFGFILPLLVMLFCYVFTLRTLFQAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLTDTLMRTHVIQETCERRNDIDRALDATEILGFLHSCLNPIIYAFIGQKFRYGLLKILAAHGLISKEFLAKESRPSFVASSSGNTSTTL
UniProtP35344
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075198
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL403313
Molecular formulaC21H21FN4O3S
IUPAC name4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(dimethylsulfamoyl)butanamide
Molecular weight428.482
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50236292
4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(dimethylsulfamoyl)butanamide
Inchi KeyANXLTXNOZIKJSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
PubChem CID24879232
ChEMBLCHEMBL403313
IUPHARN/A
BindingDB50236292
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50700.0 nMPMID18308567BindingDB,ChEMBL

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