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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

NameCHEMBL3786583
Molecular formulaC76H104F9N19O23
IUPAC name(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-5-[[amino-(4-aminobutylcarbamoylamino)methylidene]amino]-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
Molecular weight1822.76
Hydrogen bond acceptor35
Hydrogen bond donor23
XlogPNone
SynonymsBDBM50159225
Inchi KeyBLNJCQPCLMLZSB-FVXXQQPCSA-N
Inchi IDInChI=1S/C70H101N19O17.3C2HF3O2/c1-38(2)32-51(85-66(103)54(37-90)87-65(102)53(35-43-36-78-47-17-9-8-16-45(43)47)86-64(101)52(34-42-20-22-44(91)23-21-42)84-60(97)46(72)24-27-57(93)94)63(100)79-39(3)59(96)80-40(4)68(105)89-31-13-19-55(89)67(104)82-49(25-26-56(73)92)62(99)81-48(18-12-30-76-69(75)88-70(106)77-29-11-10-28-71)61(98)83-50(58(74)95)33-41-14-6-5-7-15-41;3*3-2(4,5)1(6)7/h5-9,14-17,20-23,36,38-40,46,48-55,78,90-91H,10-13,18-19,24-35,37,71-72H2,1-4H3,(H2,73,92)(H2,74,95)(H,79,100)(H,80,96)(H,81,99)(H,82,104)(H,83,98)(H,84,97)(H,85,103)(H,86,101)(H,87,102)(H,93,94)(H4,75,76,77,88,106);3*(H,6,7)/t39-,40-,46-,48-,49-,50-,51-,52-,53-,54-,55-;;;/m0.../s1
PubChem CID127030940
ChEMBLCHEMBL3786583
IUPHARN/A
BindingDB50159225
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Ki27.0 nMPMID26824643BindingDB,ChEMBL

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