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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

NameNeuropeptide FF
Molecular formulaC54H76N14O10
IUPAC name(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
Molecular weight1081.29
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP-0.3
SynonymsPhe-Leu-Phe-Gln-Pro-Gln-Arg-Phe amide, >=95% (HPLC)
B5386
MFCD00076704
2-{[1-(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-4-methyl-pentanoylamino]-3-phenyl-propionylamino}-4-carbamoyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-pentanedioic acid 5-amide 1-{[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butyl]-amide}
CAS_235433-36-0
[ Show all ]
Inchi KeyHWYCFZUSOBOBIN-AQJXLSMYSA-N
Inchi IDInChI=1S/C54H76N14O10/c1-32(2)28-41(66-47(72)36(55)29-33-14-6-3-7-15-33)50(75)67-42(31-35-18-10-5-11-19-35)51(76)64-39(23-25-45(57)70)53(78)68-27-13-21-43(68)52(77)63-38(22-24-44(56)69)49(74)62-37(20-12-26-61-54(59)60)48(73)65-40(46(58)71)30-34-16-8-4-9-17-34/h3-11,14-19,32,36-43H,12-13,20-31,55H2,1-2H3,(H2,56,69)(H2,57,70)(H2,58,71)(H,62,74)(H,63,77)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,59,60,61)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
PubChem CID9854861
ChEMBLCHEMBL429731
IUPHARN/A
BindingDB86139, 50037557
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC502.7 nMPMID22708927ChEMBL
EC505.6 nMPMID22708927ChEMBL
EC5033.0 nMPMID22708927ChEMBL
EC50119.0 nMPMID22708927ChEMBL
EC50126.0 nMPMID22708927ChEMBL
EC50341.0 nMPMID22708927ChEMBL
EC50612.0 nMPMID22708927ChEMBL
Emax61.0 %PMID22708927ChEMBL
Emax68.0 %PMID22708927ChEMBL
Emax86.0 %PMID22708927ChEMBL
Emax94.0 %PMID22708927ChEMBL
Emax97.0 %PMID22708927ChEMBL
Emax103.0 %PMID22708927ChEMBL
Emax109.0 %PMID22708927ChEMBL
Ki1.2 nMPMID26824643BindingDB,ChEMBL
Ki19.0 nMPMID12606605BindingDB
Ki37.0 nMPMID12606605BindingDB
Ratio EC502.0 -PMID22708927ChEMBL
Ratio EC503.0 -PMID22708927ChEMBL
Ratio EC5019.0 -PMID22708927ChEMBL
Ratio EC5070.0 -PMID22708927ChEMBL
Ratio EC5074.0 -PMID22708927ChEMBL
Ratio EC50200.0 -PMID22708927ChEMBL
Ratio EC50360.0 -PMID22708927ChEMBL

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