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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

NameCHEMBL2370054
Molecular formulaC49H67N9O11
IUPAC name(4S)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-[(2S)-2-[[(2S)-1-amino-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Molecular weight958.127
Hydrogen bond acceptor11
Hydrogen bond donor8
XlogP3.6
SynonymsN/A
Inchi KeyCSTXAVJFOVOBCP-SLROIMSRSA-N
Inchi IDInChI=1S/C49H67N9O11/c1-6-7-18-34(41(50)61)53-45(65)38-20-13-24-57(38)47(67)39-21-14-25-58(39)46(66)37(26-30-15-9-8-10-16-30)55-44(64)36(27-31-28-51-33-19-12-11-17-32(31)33)54-42(62)29(2)52-43(63)35(22-23-40(59)60)56-48(68)69-49(3,4)5/h8-12,15-17,19,28-29,34-39,51H,6-7,13-14,18,20-27H2,1-5H3,(H2,50,61)(H,52,63)(H,53,65)(H,54,62)(H,55,64)(H,56,68)(H,59,60)/t29-,34-,35-,36+,37-,38-,39+/m0/s1
PubChem CID14991672
ChEMBLCHEMBL2370054
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
pKB>4.5 -PMID1321907ChEMBL

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