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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

NameCHEMBL178959
Molecular formulaC44H69N11O9
IUPAC nametert-butyl N-[(2S)-1-[[(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-[(2S)-2-[[(2S)-1-amino-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate
Molecular weight896.104
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP1.5
SynonymsN/A
Inchi KeyGOJSZZPTJHFAIA-BIKSFPIXSA-N
Inchi IDInChI=1S/C44H69N11O9/c1-6-7-17-29(35(45)56)50-37(58)33-20-13-24-54(33)41(62)34-21-14-25-55(34)40(61)31(26-28-15-9-8-10-16-28)51-38(59)32-19-12-23-53(32)39(60)27(2)49-36(57)30(18-11-22-48-42(46)47)52-43(63)64-44(3,4)5/h8-10,15-16,27,29-34H,6-7,11-14,17-26H2,1-5H3,(H2,45,56)(H,49,57)(H,50,58)(H,51,59)(H,52,63)(H4,46,47,48)/t27-,29-,30-,31-,32+,33-,34+/m0/s1
PubChem CID14991677
ChEMBLCHEMBL178959
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
pKB5.2 -PMID1321907ChEMBL

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