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GPCR

NameSubstance-P receptor
SpeciesRattus norvegicus (Rat)
GeneTacr1
SynonymTAC1R
Substance P receptor
SPR
NK1R
NK1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length407
Amino acid sequenceMDNVLPMDSDLFPNISTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAHKRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTISTVVGAHEEEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
UniProtP14600
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4027
IUPHAR360
DrugBankN/A

Ligand

NameCHEMBL2304111
Molecular formulaC80H111N17O18S
IUPAC namemethyl (2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoate
Molecular weight1630.93
Hydrogen bond acceptor20
Hydrogen bond donor14
XlogP3.0
SynonymsN/A
Inchi KeyFEXZPMJWZJFFGM-KIHOYDOBSA-N
Inchi IDInChI=1S/C80H111N17O18S/c1-50(2)44-60(71(104)92-59(38-43-116-4)77(110)113-3)88-67(100)47-87-68(101)61(45-51-22-9-5-10-23-51)93-72(105)62(46-52-24-11-6-12-25-52)94-70(103)55(34-36-65(81)98)89-69(102)56(35-37-66(82)99)90-73(106)63-32-20-41-96(63)75(108)57(30-17-18-39-86-79(111)114-48-53-26-13-7-14-27-53)91-74(107)64-33-21-42-97(64)76(109)58(31-19-40-85-78(83)84)95-80(112)115-49-54-28-15-8-16-29-54/h5-16,22-29,50,55-64H,17-21,30-49H2,1-4H3,(H2,81,98)(H2,82,99)(H,86,111)(H,87,101)(H,88,100)(H,89,102)(H,90,106)(H,91,107)(H,92,104)(H,93,105)(H,94,103)(H,95,112)(H4,83,84,85)/t55-,56-,57-,58-,59+,60-,61-,62+,63-,64-/m0/s1
PubChem CID44271183
ChEMBLCHEMBL2304111
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Change in amplitude response-14.0 %PMID2433442ChEMBL

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