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

NameHydroxycarboxylic acid receptor 1
SpeciesHomo sapiens (Human)
GeneHCAR1
Synonymlactate receptor 1
LACR1
HCA1 receptor
Gpr81
G-protein coupled receptor 81
[ Show all ]
DiseaseN/A
Length346
Amino acid sequenceMYNGSCCRIEGDTISQVMPPLLIVAFVLGALGNGVALCGFCFHMKTWKPSTVYLFNLAVADFLLMICLPFRTDYYLRRRHWAFGDIPCRVGLFTLAMNRAGSIVFLTVVAADRYFKVVHPHHAVNTISTRVAAGIVCTLWALVILGTVYLLLENHLCVQETAVSCESFIMESANGWHDIMFQLEFFMPLGIILFCSFKIVWSLRRRQQLARQARMKKATRFIMVVAIVFITCYLPSVSARLYFLWTVPSSACDPSVHGALHITLSFTYMNSMLDPLVYYFSSPSFPKFYNKLKICSLKPKQPGHSKTQRPEEMPISNLGRRSCISVANSFQSQSDGQWDPHIVEWH
UniProtQ9BXC0
Protein Data BankN/A
GPCR-HGmod modelQ9BXC0
3D structure modelThis predicted structure model is from GPCR-EXP Q9BXC0.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075101
IUPHAR311
DrugBankN/A

Ligand

NameSCHEMBL2195952
Molecular formulaC11H13N3O
IUPAC name3-cyclopentyl-4H-imidazo[4,5-b]pyridin-5-one
Molecular weight203.245
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.0
SynonymsCHEMBL3718624
3-Cyclopentyl-3H-imidazo[4,5-b]pyridin-5-ol
HZOHLSBCUNEGSM-UHFFFAOYSA-N
Inchi KeyHZOHLSBCUNEGSM-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H13N3O/c15-10-6-5-9-11(13-10)14(7-12-9)8-3-1-2-4-8/h5-8H,1-4H2,(H,13,15)
PubChem CID58345662
ChEMBLCHEMBL3718624
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5014.0 nMNoneChEMBL
EC50230.0 nMNoneChEMBL

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