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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

NameCHEMBL411230
Molecular formulaC64H100N18O13S
IUPAC name(2S)-2-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Molecular weight1361.68
Hydrogen bond acceptor17
Hydrogen bond donor15
XlogP-2.0
SynonymsBDBM50030157
Arg-Pro-Lys-Pro-Gln-Gln-Phe-Hph-Gly-Leu-Met
Inchi KeyJNZJMAUXRXJFQE-TYCQRAKYSA-N
Inchi IDInChI=1S/C64H100N18O13S/c1-38(2)35-47(58(90)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)43(24-23-39-15-6-4-7-16-39)76-59(91)48(36-40-17-8-5-9-18-40)80-57(89)44(25-27-51(67)83)77-56(88)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,90)(H,76,91)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1
PubChem CID44287822
ChEMBLCHEMBL411230
IUPHARN/A
BindingDB50030157
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
IC5062.0 nMPMID7515443BindingDB,ChEMBL

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