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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

NameCHEMBL2304098
Molecular formulaC76H106N20O14S
IUPAC name(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-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-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular weight1555.87
Hydrogen bond acceptor18
Hydrogen bond donor18
XlogP-1.6
SynonymsN/A
Inchi KeyCQZSPIVYPKCTNT-SVMUELRZSA-N
Inchi IDInChI=1S/C76H106N20O14S/c1-42(2)35-57(67(101)90-56(75(109)110)29-34-111-3)91-68(102)59(37-44-40-85-51-20-8-5-16-47(44)51)93-70(104)60(38-45-41-86-52-21-9-6-17-48(45)52)94-69(103)58(36-43-39-84-50-19-7-4-15-46(43)50)92-66(100)53(25-27-63(79)97)87-65(99)54(26-28-64(80)98)88-71(105)62-24-14-33-96(62)74(108)55(22-10-11-30-77)89-72(106)61-23-13-32-95(61)73(107)49(78)18-12-31-83-76(81)82/h4-9,15-17,19-21,39-42,49,53-62,84-86H,10-14,18,22-38,77-78H2,1-3H3,(H2,79,97)(H2,80,98)(H,87,99)(H,88,105)(H,89,106)(H,90,101)(H,91,102)(H,92,100)(H,93,104)(H,94,103)(H,109,110)(H4,81,82,83)/t49-,53-,54-,55-,56+,57-,58+,59+,60-,61-,62-/m0/s1
PubChem CID44271120
ChEMBLCHEMBL2304098
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-55.0 %PMID2433442ChEMBL
Change in amplitude response30.0 %PMID2433442ChEMBL

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