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

NameHydroxycarboxylic acid receptor 2
SpeciesMus musculus (Mouse)
GeneHcar2
SynonymProtein PUMA-G
Nicotinic acid receptor
Nic1
Niacr1
niacin receptor 1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length360
Amino acid sequenceMSKSDHFLVINGKNCCVFRDENIAKVLPPVLGLEFVFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFLTDNYVHNWDWRFGGIPCRVMLFMLAMNRQGSIIFLTVVAVDRYFRVVHPHHFLNKISNRTAAIISCFLWGLTIGLTVHLLYTNMMTKNGEAYLCSSFSICYNFRWHDAMFLLEFFLPLAIILFCSGRIIWSLRQRQMDRHAKIKRAINFIMVVAIVFIICFLPSVAVRIRIFWLLYKYNVRNCDIYSSVDLAFFTTLSFTYMNSMLDPVVYYFSSPSFPNFFSTCINRCLRKKTLGEPDNNRSTSVELTGDPSTTRSIPGALMADPSEPGSPPYLASTSR
UniProtQ9EP66
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4420
IUPHAR312
DrugBankN/A

Ligand

NameCHEMBL483141
Molecular formulaC13H10F2N6
IUPAC name5-(2,4-difluorophenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
Molecular weight288.262
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.7
SynonymsSCHEMBL13935761
BDBM50277748
5-(2,4-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
Inchi KeyIGEKYOSIXSCTBG-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H10F2N6/c14-7-1-2-8(10(15)5-7)6-3-9-11(4-6)16-17-12(9)13-18-20-21-19-13/h1-2,5-6H,3-4H2,(H,16,17)(H,18,19,20,21)
PubChem CID12002619
ChEMBLCHEMBL483141
IUPHARN/A
BindingDB50277748
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501600.0 nMPMID19307116BindingDB,ChEMBL

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