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GPCR

NameSubstance-P receptor
SpeciesHomo sapiens (Human)
GeneTACR1
SynonymNK-1 receptor
Tachykinin receptor 1
TAC1R
SPR
Substance P receptor
[ Show all ]
DiseaseCough
Depression
Depression; Anxiety
Diabetes
Eczema
[ Show all ]
Length407
Amino acid sequenceMDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
UniProtP25103
Protein Data Bank2ksa, 6e59, 6hlo, 2ks9, 6hlp, 6hll, 2ksb
GPCR-HGmod modelP25103
3D structure modelThis structure is from PDB ID 2ksa.
BioLiPBL0101802, BL0437915, BL0437914, BL0437913, BL0434896, BL0101803, BL0101801
Therapeutic Target DatabaseT47094
ChEMBLCHEMBL249
IUPHAR360
DrugBankBE0000384

Ligand

NameCHEMBL2304128
Molecular formulaC53H78N10O13S
IUPAC nametert-butyl (2S)-2-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Molecular weight1095.32
Hydrogen bond acceptor14
Hydrogen bond donor8
XlogP2.4
SynonymsN/A
Inchi KeyCGPCFVCUHPPRIS-ZSYAGYDVSA-N
Inchi IDInChI=1S/C53H78N10O13S/c1-32(2)28-38(47(69)59-37(25-27-77-8)51(73)75-7)56-44(66)31-62(6)50(72)40(30-34-18-13-10-14-19-34)61-48(70)39(29-33-16-11-9-12-17-33)60-46(68)35(21-23-42(54)64)57-45(67)36(22-24-43(55)65)58-49(71)41-20-15-26-63(41)52(74)76-53(3,4)5/h9-14,16-19,32,35-41H,15,20-31H2,1-8H3,(H2,54,64)(H2,55,65)(H,56,66)(H,57,67)(H,58,71)(H,59,69)(H,60,68)(H,61,70)/t35-,36-,37+,38-,39+,40-,41-/m0/s1
PubChem CID44271545
ChEMBLCHEMBL2304128
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
Change in amplitude response-57.0 %PMID2433443ChEMBL
Change in amplitude response-29.0 %PMID2433443ChEMBL
Change in amplitude response-12.0 %PMID2433443ChEMBL
Change in amplitude response7.0 %PMID2433443ChEMBL

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