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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

NameCHEMBL2304093
Molecular formulaC79H107N15O16S
IUPAC name(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular weight1554.87
Hydrogen bond acceptor18
Hydrogen bond donor11
XlogP5.6
SynonymsN/A
Inchi KeyCPRVMOQOVYVLPW-HBQGYHJUSA-N
Inchi IDInChI=1S/C79H107N15O16S/c1-51(2)45-59(68(97)87-58(76(105)106)37-44-111-3)85-66(95)48-84-67(96)60(46-52-23-8-4-9-24-52)88-69(98)61(47-53-25-10-5-11-26-53)89-71(100)63-34-20-41-92(63)74(103)65-36-22-43-94(65)75(104)64-35-21-42-93(64)72(101)56(31-16-17-38-83-78(107)109-49-54-27-12-6-13-28-54)86-70(99)62-33-19-40-91(62)73(102)57(32-18-39-82-77(80)81)90-79(108)110-50-55-29-14-7-15-30-55/h4-15,23-30,51,56-65H,16-22,31-50H2,1-3H3,(H,83,107)(H,84,96)(H,85,95)(H,86,99)(H,87,97)(H,88,98)(H,89,100)(H,90,108)(H,105,106)(H4,80,81,82)/t56-,57-,58+,59-,60-,61-,62-,63-,64-,65+/m0/s1
PubChem CID44271110
ChEMBLCHEMBL2304093
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
SP1.6 %PMID2433442ChEMBL

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