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

NameCHEMBL1208921
Molecular formulaC11H16N2O2
IUPAC name5-butan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
Molecular weight208.261
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50323392
5-sec-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
Inchi KeyILEXWWRONKLMQR-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H16N2O2/c1-3-6(2)7-4-8-9(5-7)12-13-10(8)11(14)15/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
PubChem CID49862074
ChEMBLCHEMBL1208921
IUPHARN/A
BindingDB50323392
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501100.0 nMPMID20615702BindingDB,ChEMBL

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