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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

NameCHEMBL217365
Molecular formulaC57H67N13O11
IUPAC name(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1110.24
Hydrogen bond acceptor13
Hydrogen bond donor15
XlogP0.8
SynonymsBDBM50407406
Inchi KeyHECLSELVNRJUPJ-STTPMUQHSA-N
Inchi IDInChI=1S/C57H67N13O11/c1-30(2)49(70-54(78)47(25-34-29-64-42-15-8-5-12-38(34)42)68-51(75)44(22-31-17-19-35(71)20-18-31)66-50(74)39(58)26-48(72)73)55(79)69-46(24-33-28-63-41-14-7-4-11-37(33)41)53(77)67-45(23-32-27-62-40-13-6-3-10-36(32)40)52(76)65-43(56(80)81)16-9-21-61-57(59)60/h3-8,10-15,17-20,27-30,39,43-47,49,62-64,71H,9,16,21-26,58H2,1-2H3,(H,65,76)(H,66,74)(H,67,77)(H,68,75)(H,69,79)(H,70,78)(H,72,73)(H,80,81)(H4,59,60,61)/t39-,43-,44-,45+,46+,47-,49-/m0/s1
PubChem CID44324722
ChEMBLCHEMBL217365
IUPHARN/A
BindingDB50407406
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
Kd25704.0 nMPMID7629809BindingDB,ChEMBL

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