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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

NameCHEMBL2370937
Molecular formulaC64H99N20O13+
IUPAC name4-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzenediazonium
Molecular weight1356.62
Hydrogen bond acceptor17
Hydrogen bond donor15
XlogP-0.9
SynonymsN/A
Inchi KeyBMEDFZPBJFILSV-SARDKLJWSA-O
Inchi IDInChI=1S/C64H98N20O13/c1-4-5-17-42(54(69)88)76-58(92)46(33-37(2)3)75-53(87)36-74-55(89)47(34-38-14-7-6-8-15-38)80-59(93)48(35-39-21-23-40(82-72)24-22-39)81-57(91)43(25-27-51(67)85)77-56(90)44(26-28-52(68)86)78-60(94)50-20-13-32-84(50)63(97)45(18-9-10-29-65)79-61(95)49-19-12-31-83(49)62(96)41(66)16-11-30-73-64(70)71/h6-8,14-15,21-24,37,41-50H,4-5,9-13,16-20,25-36,65-66H2,1-3H3,(H17-,67,68,69,70,71,73,74,75,76,77,78,79,80,81,85,86,87,88,89,90,91,92,93,94,95)/p+1/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
PubChem CID73345511
ChEMBLCHEMBL2370937
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
RA81.0 %PMID6175752ChEMBL

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