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

NameCHEMBL116185
Molecular formulaC30H47N11O7
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2S)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide
Molecular weight673.776
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP-5.4
SynonymsBDBM50037562
Neuropeptide FF(4-8)
(S)-2-{[(S)-1-((S)-2-Amino-4-carbamoyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-pentanedioic acid 5-amide 1-{[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butyl]-amide}
Inchi KeyNIPZTEUMXAUJAG-YFNVTMOMSA-N
Inchi IDInChI=1S/C30H47N11O7/c31-18(10-12-23(32)42)29(48)41-15-5-9-22(41)28(47)39-20(11-13-24(33)43)27(46)38-19(8-4-14-37-30(35)36)26(45)40-21(25(34)44)16-17-6-2-1-3-7-17/h1-3,6-7,18-22H,4-5,8-16,31H2,(H2,32,42)(H2,33,43)(H2,34,44)(H,38,46)(H,39,47)(H,40,45)(H4,35,36,37)/t18-,19-,20-,21-,22-/m0/s1
PubChem CID10101007
ChEMBLCHEMBL116185
IUPHARN/A
BindingDB50037562
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
Ki20.9 nMPMID7932576BindingDB,ChEMBL

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