Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameExtracellular calcium-sensing receptor
SpeciesHomo sapiens (Human)
GeneCASR
SynonymCaS receptor
extracellular calcium-sensing receptor
divalent cation-sensing receptor
PCaR1 {ECO:0000303|PubMed:8698326}
hCasR {ECO:0000303|PubMed:27386547}
[ Show all ]
DiseaseSecondary hyperparathyroidism
Osteoporosis
Myelodysplastic syndrome
Hyperparathyroidism
Cerebrovascular ischaemia
[ Show all ]
Length1078
Amino acid sequenceMAFYSCCWVLLALTWHTSAYGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWLQAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNKIDSLNLDEFCNCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSSGPDLEPLIKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALKAGQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHLQEGAKGPLPVDTFLRGHEESGDRFSNSSTAFRPLCTGDENISSVETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRKGIIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKEIEFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYLLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVLLVFEAKIPTSFHRKWWGLNLQFLLVFLCTFMQIVICVIWLYTAPPSSYRNQELEDEIIFITCHEGSLMALGFLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKIYIILFKPSRNTIEEVRCSTAAHAFKVAARATLRRSNVSRKRSSSLGGSTGSTPSSSISSKSNSEDPFPQPERQKQQQPLALTQQEQQQQPLTLPQQQRSQQQPRCKQKVIFGSGTVTFSLSFDEPQKNAMAHRNSTHQNSLEAQKSSDTLTRHEPLLPLQCGETDLDLTVQETGLQGPVGGDQRPEVEDPEELSPALVVSSSQSFVISGGGSTVTENVVNS
UniProtP41180
Protein Data Bank5fbh, 5k5s, 5k5t, 5fbk
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 5fbh.
BioLiPBL0349605,BL0349608, BL0349604,BL0349607, BL0349606,BL0349609, BL0353425,BL0353426,BL0353427,, BL0353434, BL0349610,BL0349613, BL0349611,BL0349614, BL0349612,BL0349615, BL0353424,BL0353430
Therapeutic Target DatabaseT92076
ChEMBLCHEMBL1878
IUPHAR54
DrugBankBE0000509

Ligand

NameCHEMBL3093418
Molecular formulaC31H33FN4O2S
IUPAC name1-(3,3-diphenylpropyl)-3-(5-fluoro-4-phenyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
Molecular weight544.689
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50444176
Inchi KeyCDWCDBKFXMNEJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33FN4O2S/c32-29-28(26-14-8-3-9-15-26)33-30(39-29)34-31(37)36(19-18-35-20-22-38-23-21-35)17-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,33,34,37)
PubChem CID72725212
ChEMBLCHEMBL3093418
IUPHARN/A
BindingDB50444176
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC5053.0 nMPMID24215889BindingDB,ChEMBL

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