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

NameExtracellular calcium-sensing receptor
SpeciesHomo sapiens (Human)
GeneCASR
SynonymhCasR {ECO:0000303|PubMed:27386547}
GPRC2A
extracellular calcium-sensing receptor
Parathyroid cell calcium-sensing receptor 1 {ECO:0000303|PubMed:8698326}
PCaR1 {ECO:0000303|PubMed:8698326}
[ Show all ]
DiseaseOsteoporosis
Cerebrovascular ischaemia
Cardiovascular disease; Kidney disease
Secondary hyperparathyroidism
Myelodysplastic syndrome
[ Show all ]
Length1078
Amino acid sequenceMAFYSCCWVLLALTWHTSAYGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWLQAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNKIDSLNLDEFCNCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSSGPDLEPLIKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALKAGQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHLQEGAKGPLPVDTFLRGHEESGDRFSNSSTAFRPLCTGDENISSVETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRKGIIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKEIEFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYLLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVLLVFEAKIPTSFHRKWWGLNLQFLLVFLCTFMQIVICVIWLYTAPPSSYRNQELEDEIIFITCHEGSLMALGFLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKIYIILFKPSRNTIEEVRCSTAAHAFKVAARATLRRSNVSRKRSSSLGGSTGSTPSSSISSKSNSEDPFPQPERQKQQQPLALTQQEQQQQPLTLPQQQRSQQQPRCKQKVIFGSGTVTFSLSFDEPQKNAMAHRNSTHQNSLEAQKSSDTLTRHEPLLPLQCGETDLDLTVQETGLQGPVGGDQRPEVEDPEELSPALVVSSSQSFVISGGGSTVTENVVNS
UniProtP41180
Protein Data Bank5k5t, 5k5s, 5fbk, 5fbh
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 5k5t.
BioLiPBL0353424,BL0353430, BL0353434, BL0353425,BL0353426,BL0353427,, BL0349612,BL0349615, BL0349611,BL0349614, BL0349610,BL0349613, BL0349606,BL0349609, BL0349605,BL0349608, BL0349604,BL0349607
Therapeutic Target DatabaseT92076
ChEMBLCHEMBL1878
IUPHAR54
DrugBankBE0000509

Ligand

NameCHEMBL195566
Molecular formulaC22H23FN2O2
IUPAC name3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one
Molecular weight366.436
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50166503
SCHEMBL3382006
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-5-propyl-3H-pyrimidin-4-one
Inchi KeyABCPJAUEYWYDRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23FN2O2/c1-3-7-18-15(2)24-21(19-10-4-5-11-20(19)26)25(22(18)27)13-12-16-8-6-9-17(23)14-16/h4-6,8-11,14,26H,3,7,12-13H2,1-2H3
PubChem CID135423282
ChEMBLCHEMBL195566
IUPHARN/A
BindingDB50166503
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50140.0 nMPMID15863312BindingDB,ChEMBL

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