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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

NameCHEMBL320003
Molecular formulaC35H38Cl2N4O5
IUPAC name1H-benzimidazol-2-yl-[1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]methanone
Molecular weight665.612
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.6
SynonymsSCHEMBL1387207
[3-{2-[4-(1H-Benzoimidazole-2-carbonyl)-piperidin-1-yl]-ethyl}-3-(3,4-dichloro-phenyl)-pyrrolidin-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone
BDBM50290733
1-(3,4,5-Trimethoxy-benzoyl)-3-[2-[4-[1 H-benzoimidazole-2-carbonyl]-piperidin-1-yl]-ethyl]-3-(3,4-dichloro-phenyl)-pyrrolidine
BSVGNAQMDXJFNE-UHFFFAOYSA-N
Inchi KeyBSVGNAQMDXJFNE-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H38Cl2N4O5/c1-44-29-18-23(19-30(45-2)32(29)46-3)34(43)41-17-13-35(21-41,24-8-9-25(36)26(37)20-24)12-16-40-14-10-22(11-15-40)31(42)33-38-27-6-4-5-7-28(27)39-33/h4-9,18-20,22H,10-17,21H2,1-3H3,(H,38,39)
PubChem CID15542679
ChEMBLCHEMBL320003
IUPHARN/A
BindingDB50290733
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
IC507.27 nMBioorg. Med. Chem. Lett., (1997) 7:22:2825ChEMBL
IC507.3 nMN/ABindingDB

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