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

NameCHEMBL254773
Molecular formulaC23H19BrFN3O3S
IUPAC name1-(benzenesulfonyl)-3-[2-[5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]urea
Molecular weight516.385
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.0
SynonymsBDBM50236304
1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)ethyl)-3-(phenylsulfonyl)urea
Inchi KeyLHYCSAHLAIJJOV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19BrFN3O3S/c24-16-8-11-21-20(14-16)19(22(27-21)15-6-9-17(25)10-7-15)12-13-26-23(29)28-32(30,31)18-4-2-1-3-5-18/h1-11,14,27H,12-13H2,(H2,26,28,29)
PubChem CID44447946
ChEMBLCHEMBL254773
IUPHARN/A
BindingDB50236304
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC501700.0 nMPMID18308567BindingDB,ChEMBL

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