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 ●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

NameCHEMBL3786309
Molecular formulaC65H91N17O16
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)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-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
Molecular weight1366.55
Hydrogen bond acceptor18
Hydrogen bond donor18
XlogP-3.9
SynonymsBDBM50159227
Inchi KeyJGHPDOKJMQTPSY-NNVBHMPUSA-N
Inchi IDInChI=1S/C65H91N17O16/c1-34(2)28-47(79-62(96)50(33-83)81-61(95)49(31-39-32-72-43-15-9-8-14-41(39)43)80-60(94)48(30-38-18-20-40(84)21-19-38)78-56(90)42(66)22-25-53(86)87)59(93)73-35(3)55(89)74-36(4)64(98)82-27-11-17-51(82)63(97)76-45(23-24-52(67)85)58(92)75-44(16-10-26-71-65(69)70)57(91)77-46(54(68)88)29-37-12-6-5-7-13-37/h5-9,12-15,18-21,32,34-36,42,44-51,72,83-84H,10-11,16-17,22-31,33,66H2,1-4H3,(H2,67,85)(H2,68,88)(H,73,93)(H,74,89)(H,75,92)(H,76,97)(H,77,91)(H,78,90)(H,79,96)(H,80,94)(H,81,95)(H,86,87)(H4,69,70,71)/t35-,36-,42-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
PubChem CID101493753
ChEMBLCHEMBL3786309
IUPHARN/A
BindingDB50159227
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
Kd0.54 nMPMID26824643BindingDB
Kd0.54 nMPMID26824643ChEMBL
Ki0.53 nMPMID26824643ChEMBL
Ki0.53 nMPMID26824643BindingDB

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