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GPCR

NameSubstance-P receptor
SpeciesCavia porcellus (Guinea pig)
GeneTACR1
SynonymNK-1 receptor
NK-1R
SPR
Tachykinin receptor 1
DiseaseN/A for non-human GPCRs
Length407
Amino acid sequenceMDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
UniProtP30547
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3942
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL292256
Molecular formulaC32H33N5O6
IUPAC name(4R)-N-[(2R)-1-[benzyl(methyl)amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
Molecular weight583.645
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50030185
(R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-pyrrolidine-2-carboxylic acid [(R)-1-(benzyl-methyl-carbamoyl)-2-(4-nitro-phenyl)-ethyl]-amide
Inchi KeyBIGMZQWNZNFNNB-MPXLCVCVSA-N
Inchi IDInChI=1S/C32H33N5O6/c1-34-20-26(25-10-6-7-11-28(25)34)31(40)36-19-24(38)17-29(36)30(39)33-27(16-21-12-14-23(15-13-21)37(42)43)32(41)35(2)18-22-8-4-3-5-9-22/h3-15,20,24,27,29,38H,16-19H2,1-2H3,(H,33,39)/t24-,27-,29?/m1/s1
PubChem CID44306045
ChEMBLCHEMBL292256
IUPHARN/A
BindingDB50030185
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507.0 nMPMID7518002BindingDB,ChEMBL

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