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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

NameCHEMBL294288
Molecular formulaC35H45N5O8
IUPAC namebenzyl (2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-4-methylpentanoate
Molecular weight663.772
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.0
SynonymsBDBM50002544
benzyl 2-[1-[3-carbamoyl-1-neopentylcarboxamido-(1S)-propylcarboxamido]-2-(1-formyl-1H-3-indolyl)-(1R)-ethylcarboxamido]-4-methyl-(2S)-pentanoate
Inchi KeyCLDDZHIEZFRINB-IARZGTGTSA-N
Inchi IDInChI=1S/C35H45N5O8/c1-22(2)17-28(33(45)47-20-23-11-7-6-8-12-23)38-32(44)27(18-24-19-40(21-41)29-14-10-9-13-25(24)29)37-31(43)26(15-16-30(36)42)39-34(46)48-35(3,4)5/h6-14,19,21-22,26-28H,15-18,20H2,1-5H3,(H2,36,42)(H,37,43)(H,38,44)(H,39,46)/t26-,27+,28-/m0/s1
PubChem CID15755305
ChEMBLCHEMBL294288
IUPHARN/A
BindingDB50002544
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010000.0 nMPMID1375965BindingDB,ChEMBL

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