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GPCR

NameNeuromedin-K receptor
SpeciesHomo sapiens (Human)
GeneTACR3
SynonymSP-N receptor
Tac3r
Nmkr
NKR
NK3 receptor
[ Show all ]
DiseaseSchizophrenia
Schizophrenia; Schizoaffective disorders
Psychotic disorders
Psychiatric disorder
Irritable bowel syndrome
[ Show all ]
Length465
Amino acid sequenceMATLPAAETWIDGGGGVGADAVNLTASLAAGAATGAVETGWLQLLDQAGNLSSSPSALGLPVASPAPSQPWANLTNQFVQPSWRIALWSLAYGVVVAVAVLGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASMAAFNTLVNFIYALHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKTKVMPGRTLCFVQWPEGPKQHFTYHIIVIILVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVMTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIKVSSYDELELKTTRFHPNRQSSMYTVTRMESMTVVFDPNDADTTRSSRKKRATPRDPSFNGCSRRNSKSASATSSFISSPYTSVDEYS
UniProtP29371
Protein Data BankN/A
GPCR-HGmod modelP29371
3D structure modelThis predicted structure model is from GPCR-EXP P29371.
BioLiPN/A
Therapeutic Target DatabaseT29683
ChEMBLCHEMBL4429
IUPHAR362
DrugBankBE0002371

Ligand

NameCHEMBL3680200
Molecular formulaC30H31ClF2N4O3
IUPAC name(4-fluorophenyl) N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(5-fluoropyridin-2-yl)piperidine-4-carbonyl]-4-methylpyrrolidin-3-yl]-N-methylcarbamate
Molecular weight569.05
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.7
SynonymsUS8618303, 23
BDBM109733
SCHEMBL10277025
Inchi KeyBVVANLMQPZWSDC-VIZCGCQYSA-N
Inchi IDInChI=1S/C30H31ClF2N4O3/c1-30(21-3-5-22(31)6-4-21)19-37(18-26(30)35(2)29(39)40-25-10-7-23(32)8-11-25)28(38)20-13-15-36(16-14-20)27-12-9-24(33)17-34-27/h3-12,17,20,26H,13-16,18-19H2,1-2H3/t26-,30+/m1/s1
PubChem CID57414761
ChEMBLCHEMBL3680200
IUPHARN/A
BindingDB109733
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki43.5 nM, NoneBindingDB,ChEMBL

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