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GPCR

NameSomatostatin receptor type 1
SpeciesRattus norvegicus (Rat)
GeneSstr1
SynonymSRIF-2
SS-1-R
SS1-R
SS1R
SST1 receptor
DiseaseN/A for non-human GPCRs
Length391
Amino acid sequenceMFPNGTAPSPTSSPSSSPGGCGEGVCSRGPGSGAADGMEEPGRNSSQNGTLSEGQGSAILISFIYSVVCLVGLCGNSMVIYVILRYAKMKTATNIYILNLAIADELLMLSVPFLVTSTLLRHWPFGALLCRLVLSVDAVNMFTSIYCLTVLSVDRYVAVVHPIKAARYRRPTVAKVVNLGVWVLSLLVILPIVVFSRTAANSDGTVACNMLMPEPAQRWLVGFVLYTFLMGFLLPVGAICLCYVLIIAKMRMVALKAGWQQRKRSERKITLMVMMVVMVFVICWMPFYVVQLVNVFAEQDDATVSQLSVILGYANSCANPILYGFLSDNFKRSFQRILCLSWMDNAAEEPVDYYATALKSRAYSVEDFQPENLESGGVFRNGTCASRISTL
UniProtP28646
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4652
IUPHAR355
DrugBankN/A

Ligand

NameCHEMBL460542
Molecular formulaC29H31F2N3O2
IUPAC name1-[4-(3,4-difluorophenyl)piperazin-1-yl]-3-[methyl-[2-(9H-xanthen-9-yl)ethyl]amino]propan-1-one
Molecular weight491.583
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50248555
SCHEMBL5342610
3-((2-(9H-xanthen-9-yl)ethyl)(methyl)amino)-1-(4-(3,4-difluorophenyl)piperazin-1-yl)propan-1-one
Inchi KeyFBLFUQVNJABTNK-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31F2N3O2/c1-32(14-12-22-23-6-2-4-8-27(23)36-28-9-5-3-7-24(22)28)15-13-29(35)34-18-16-33(17-19-34)21-10-11-25(30)26(31)20-21/h2-11,20,22H,12-19H2,1H3
PubChem CID17955460
ChEMBLCHEMBL460542
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Kd0.7762 nMPMID19208473ChEMBL
pKb7.93 -PMID19208473ChEMBL

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