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 DMFold 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
SpeciesRattus norvegicus (Rat)
GeneNpffr2
SynonymF8Famide receptor
G protein-coupled receptor 74
G-protein coupled receptor 74
GPR74
Neuropeptide G-protein coupled receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length417
Amino acid sequenceMGKRWDSNSSGSWDHIWSGNDTQHPWYSDINITYMNYYLHQPHVTAVFISSYFLIFFLCMVGNTVVCFVVIRNRYMHTVTNFFIFNLAISDLLVGIFCMPITLLDNIIAGWPFGSSMCKISGLVQGISVAASVFTLVAIAVDRFRCVVYPFKPKLTVKTAFVMIVIIWGLAITIMTPSAIMLHVQEEKYYRVRLSSHNKTSTVYWCREDWPNQEMRRIYTTVLFATIYLAPLSLIVIMYARIGASLFKTSAHSTGKQRLEQWHVSKKKQKVIKMLLTVALLFILSWLPLWTLMMLSDYADLSPNKLRVINIYVYPFAHWLAFCNSSVNPIIYGFFNENFRSGFQDAFQFCQKKVKPQEAYGLRAKRNLDINTSGLLVHEPASQNPSGENLGCRKSADNPTQESLMEETGEATNSTET
UniProtQ9EQD2
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3425
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2181303
Molecular formulaC39H64N12O8
IUPAC name(2S)-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]butanediamide
Molecular weight829.017
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-1.1
SynonymsN/A
Inchi KeyKLGDCORYGPGHJC-RQKKIUEJSA-N
Inchi IDInChI=1S/C39H64N12O8/c1-21(2)17-27(35(56)46-25(13-9-15-45-39(43)44)34(55)47-26(32(42)53)19-24-11-7-6-8-12-24)49-37(58)30-14-10-16-51(30)38(59)29(18-22(3)4)50-36(57)28(20-31(41)52)48-33(54)23(5)40/h6-8,11-12,21-23,25-30H,9-10,13-20,40H2,1-5H3,(H2,41,52)(H2,42,53)(H,46,56)(H,47,55)(H,48,54)(H,49,58)(H,50,57)(H4,43,44,45)/t23-,25-,26-,27-,28-,29-,30-/m0/s1
PubChem CID71462793
ChEMBLCHEMBL2181303
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition48.0 %PMID22909119ChEMBL
Inhibition54.0 %PMID22909119ChEMBL
Inhibition60.0 %PMID22909119ChEMBL

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