Home Research COVID-19 Services Publications People Teaching Job Opening News Forum -->
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 ●StarFunc ●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

NameNeuromedin-K receptor
SpeciesRattus norvegicus (Rat)
GeneTacr3
SynonymTac3r
SP-N receptor
Nmkr
NKR
NK3 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length452
Amino acid sequenceMASVPRGENWTDGTVEVGTHTGNLSSALGVTEWLALQAGNFSSALGLPATTQAPSQVRANLTNQFVQPSWRIALWSLAYGLVVAVAVFGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASVAAFNTLINFIYGLHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKIKVMPGRTLCYVQWPEGPKQHFTYHIIVIILVYCFPLLIMGVTYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVVTFAICWLPYHVYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIQVSSYDELELKTTRFHPTRQSSLYTVSRMESVTVLFDPNDGDPTKSSRKKRAVPRDPSANGCSHRGSKSASTTSSFISSPYTSVDEYS
UniProtP16177
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3154
IUPHAR362
DrugBankN/A

Ligand

NameCHEMBL3144209
Molecular formulaC47H57N7O6
IUPAC name(2S)-2-[[(2R)-3-[1-(7-aminoheptanoyl)indol-3-yl]-2-[[2-[(4S,7S)-3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl]acetyl]amino]propanoyl]amino]-N-benzyl-N-methyl-3-phenylpropanamide
Molecular weight816.016
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.4
SynonymsN/A
Inchi KeyPRYCKXQCDGEFFJ-CZSMCTLESA-N
Inchi IDInChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/t33?,35?,37-,38+,39+,43+/m1/s1
PubChem CID10350454
ChEMBLCHEMBL3144209
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Kd1995.26 nMPMID8388471ChEMBL

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