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GPCR

NameSubstance-K receptor
SpeciesCavia porcellus (Guinea pig)
GeneTACR2
SynonymNeurokinin A receptor
NK-2 receptor
NK-2R
SKR
Tachykinin receptor 2
DiseaseN/A for non-human GPCRs
Length402
Amino acid sequenceMGACVIVTNTNISSGLESNTTGITAFSMPTWQLALWATAYLALVLVAVTGNATVTWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAIDRYMAIVHPFQPRLSAPSTKAVIGGIWLVALALAFPQCFYSTITEDEGATKCVVAWPEDSRDKSLLLYHLVVIVLIYLLPLTVMFVAYSIIGLTLWRRAVPRHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNRRFRSGFRLAFRCCPWVTPTEEDKLELTHTPSFSLRVNRCHTKEILFMAGDTVPSEATNGQAGGPQDRESVELSSLPGCRAGPSILAKASS
UniProtQ64077
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2647
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL242625
Molecular formulaC32H39N5O4S
IUPAC nameN-[1-[[(2R)-1-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight589.755
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.5
SynonymsN/A
Inchi KeyDRZJIWHMRQXGEA-RUZDIDTESA-N
Inchi IDInChI=1S/C32H39N5O4S/c1-36-17-19-37(20-18-36)28(38)13-16-33-29(39)25(21-23-9-3-2-4-10-23)34-31(41)32(14-7-8-15-32)35-30(40)27-22-24-11-5-6-12-26(24)42-27/h2-6,9-12,22,25H,7-8,13-21H2,1H3,(H,33,39)(H,34,41)(H,35,40)/t25-/m1/s1
PubChem CID23626413
ChEMBLCHEMBL242625
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
pKb7.7 -PMID17850056ChEMBL

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