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

NameCHEMBL3951018
Molecular formulaC21H25Cl2N5O3S
IUPAC name4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
Molecular weight498.423
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50198920
SCHEMBL1036899
Inchi KeyZYSPBBJRIQHKDF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25Cl2N5O3S/c1-14-4-8-28(9-5-14)21(29)19(6-10-27-7-2-3-15(27)13-24)26-32(30,31)16-11-17(22)20(25)18(23)12-16/h2-3,7,11-12,14,19,26H,4-6,8-10,25H2,1H3
PubChem CID58509213
ChEMBLCHEMBL3951018
IUPHARN/A
BindingDB50198920
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501.995 nMPMID27692854ChEMBL
IC503.162 nMPMID27692854ChEMBL
IC503.4 nMPMID27692854ChEMBL
IC5012.59 nMPMID27692854ChEMBL
IC5015.85 nMPMID27692854ChEMBL
IC5019.95 nMPMID27692854ChEMBL
IC50158.49 nMPMID27692854ChEMBL

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