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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

NameCHEMBL318369
Molecular formulaC41H48Cl2N4O7
IUPAC nameethyl 4-[2-[1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidine-4-carbonyl]benzimidazol-1-yl]butanoate
Molecular weight779.756
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP7.0
Synonyms4-[2-(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-piperidine-4-carbonyl)-benzoimidazol-1-yl]-butyric acid ethyl ester
SCHEMBL1387326
1-(3,4,5-Trimethoxy-benzoyl)-3-[2-[4-[1-(3-ethoxycarbonyl-propyl)-1 H-benzoimidazole-2-carbonyl]-piperidin-1-yl]-ethyl]-3-(3,4-dichloro-phenyl)-pyrrolidine
BDBM50290726
CUKBOHPSSFJJFQ-UHFFFAOYSA-N
Inchi KeyCUKBOHPSSFJJFQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H48Cl2N4O7/c1-5-54-36(48)11-8-18-47-33-10-7-6-9-32(33)44-39(47)37(49)27-14-19-45(20-15-27)21-16-41(29-12-13-30(42)31(43)25-29)17-22-46(26-41)40(50)28-23-34(51-2)38(53-4)35(24-28)52-3/h6-7,9-10,12-13,23-25,27H,5,8,11,14-22,26H2,1-4H3
PubChem CID10147218
ChEMBLCHEMBL318369
IUPHARN/A
BindingDB50290726
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC507.57 nMBioorg. Med. Chem. Lett., (1997) 7:22:2825ChEMBL
IC507.6 nMN/ABindingDB

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