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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

NameCHEMBL291602
Molecular formulaC29H35N7O7
IUPAC namebenzyl N-[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate
Molecular weight593.641
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP-0.8
SynonymsBDBM50002537
Benzyloxycarbonyl-D-Pro-Gln-Gln-amine
Inchi KeyADTZJIXSNXVBKQ-RJGXRXQPSA-N
Inchi IDInChI=1S/C29H35N7O7/c30-24(37)12-10-21(27(40)35-23(26(32)39)14-18-15-33-20-9-5-4-8-19(18)20)34-28(41)22(11-13-25(31)38)36-29(42)43-16-17-6-2-1-3-7-17/h1-9,15,21-23,33H,10-14,16H2,(H2,30,37)(H2,31,38)(H2,32,39)(H,34,41)(H,35,40)(H,36,42)/t21-,22-,23+/m0/s1
PubChem CID15755333
ChEMBLCHEMBL291602
IUPHARN/A
BindingDB50002537
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50100000.0 nMPMID1375965BindingDB,ChEMBL

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