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GPCR

NameSubstance-K receptor
SpeciesRattus norvegicus (Rat)
GeneTacr2
SynonymTAC2R
Substance K receptor
SP-E receptor
SKR
NKNAR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length390
Amino acid sequenceMGTRAIVSDANILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAIIAGIWLVALALASPQCFYSTITVDEGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLLVMFGAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVLTFAICWLPYHLYFILGTFQEDIYYHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTHTPSLSRRVNRCHTKETLFMTGDMTHSEATNGQVGSPQDGEPAGPICKAQA
UniProtP16610
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4554
IUPHAR361
DrugBankN/A

Ligand

NameCHEMBL293580
Molecular formulaC46H58N8O6
IUPAC name(2S)-2-[1-[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylpentanamide
Molecular weight819.02
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP3.9
SynonymsN/A
Inchi KeyGHROELPDJQNMIT-MBWYVPBVSA-N
Inchi IDInChI=1S/C46H58N8O6/c1-30(2)25-39(43(58)51-36(41(48)56)28-33-29-49-35-18-10-9-17-34(33)35)53-24-21-46(45(53)60)20-12-23-54(46)44(59)38(27-32-15-7-4-8-16-32)52-42(57)37(50-40(55)19-11-22-47)26-31-13-5-3-6-14-31/h3-10,13-18,29-30,36-39,49H,11-12,19-28,47H2,1-2H3,(H2,48,56)(H,50,55)(H,51,58)(H,52,57)/t36?,37-,38-,39-,46?/m0/s1
PubChem CID44297535
ChEMBLCHEMBL293580
IUPHARN/A
BindingDBN/A
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
pKB5.27 -PMID1694545ChEMBL

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