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-C chemokine receptor type 10
SpeciesHomo sapiens (Human)
GeneCCR10
SynonymCCR-10
CCR10
CC-CKR-10
G-protein coupled receptor 2
GPR-2
[ Show all ]
DiseaseInflammatory disease
Length362
Amino acid sequenceMGTEATEQVSWGHYSGDEEDAYSAEPLPELCYKADVQAFSRAFQPSVSLTVAALGLAGNGLVLATHLAARRAARSPTSAHLLQLALADLLLALTLPFAAAGALQGWSLGSATCRTISGLYSASFHAGFLFLACISADRYVAIARALPAGPRPSTPGRAHLVSVIVWLLSLLLALPALLFSQDGQREGQRRCRLIFPEGLTQTVKGASAVAQVALGFALPLGVMVACYALLGRTLLAARGPERRRALRVVVALVAAFVVLQLPYSLALLLDTADLLAARERSCPASKRKDVALLVTSGLALARCGLNPVLYAFLGLRFRQDLRRLLRGGSCPSGPQPRRGCPRRPRLSSCSAPTETHSLSWDN
UniProtP46092
Protein Data BankN/A
GPCR-HGmod modelP46092
3D structure modelThis predicted structure model is from GPCR-EXP P46092.
BioLiPN/A
Therapeutic Target DatabaseT71054
ChEMBLCHEMBL2321628
IUPHAR67
DrugBankN/A

Ligand

NameCHEMBL3951650
Molecular formulaC20H24Cl2N6O3S
IUPAC name4-amino-3,5-dichloro-N-[4-(2-cyanoimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
Molecular weight499.411
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50198916
SCHEMBL1037334
Inchi KeyOEQVZEWITHEYQJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24Cl2N6O3S/c1-13-2-6-28(7-3-13)20(29)17(4-8-27-9-5-25-18(27)12-23)26-32(30,31)14-10-15(21)19(24)16(22)11-14/h5,9-11,13,17,26H,2-4,6-8,24H2,1H3
PubChem CID58509026
ChEMBLCHEMBL3951650
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50501.19 nMPMID27692854ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417