Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER D-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

NameNeuropeptide FF receptor 2
SpeciesHomo sapiens (Human)
GeneNPFFR2
SynonymNPFF2 receptor
Neuropeptide G-protein coupled receptor
GPR74
G-protein coupled receptor HLWAR77
G-protein coupled receptor 74
[ Show all ]
DiseaseN/A
Length522
Amino acid sequenceMNSFFGTPAASWCLLESDVSSAPDKEAGRERRALSVQQRGGPAWSGSLEWSRQSAGDRRRLGLSRQTAKSSWSRSRDRTCCCRRAWWILVPAADRARRERFIMNEKWDTNSSENWHPIWNVNDTKHHLYSDINITYVNYYLHQPQVAAIFIISYFLIFFLCMMGNTVVCFIVMRNKHMHTVTNLFILNLAISDLLVGIFCMPITLLDNIIAGWPFGNTMCKISGLVQGISVAASVFTLVAIAVDRFQCVVYPFKPKLTIKTAFVIIMIIWVLAITIMSPSAVMLHVQEEKYYRVRLNSQNKTSPVYWCREDWPNQEMRKIYTTVLFANIYLAPLSLIVIMYGRIGISLFRAAVPHTGRKNQEQWHVVSRKKQKIIKMLLIVALLFILSWLPLWTLMMLSDYADLSPNELQIINIYIYPFAHWLAFGNSSVNPIIYGFFNENFRRGFQEAFQLQLCQKRAKPMEAYALKAKSHVLINTSNQLVQESTFQNPHGETLLYRKSAEKPQQELVMEELKETTNSSEI
UniProtQ9Y5X5
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5952
IUPHAR301
DrugBankN/A

Ligand

NameCHEMBL2208076
Molecular formulaC24H30N6O4
IUPAC name(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]pentanamide
Molecular weight466.542
Hydrogen bond acceptor5
Hydrogen bond donor6
XlogP0.8
SynonymsN/A
Inchi KeyFBUTUIGBQZOOEZ-PKMDAXGDSA-N
Inchi IDInChI=1S/C24H30N6O4/c25-22(33)19(15-16-7-2-1-3-8-16)30-23(34)18(10-6-14-28-24(26)27)29-21(32)13-12-17-9-4-5-11-20(17)31/h1-5,7-9,11-13,18-19,31H,6,10,14-15H2,(H2,25,33)(H,29,32)(H,30,34)(H4,26,27,28)/b13-12+/t18-,19-/m0/s1
PubChem CID71457880
ChEMBLCHEMBL2208076
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition17.0 %PMID23131340ChEMBL
Inhibition77.0 %PMID23131340ChEMBL

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