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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

NameCHEMBL251110
Molecular formulaC25H30N4O2
IUPAC name[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
Molecular weight418.541
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.3
SynonymsBDBM50423357
Inchi KeyDVMFXFNOCDQDLS-KCZVDYSFSA-N
Inchi IDInChI=1S/C25H30N4O2/c1-28-16-20(13-19-14-21-18(15-22(19)28)5-3-6-23(21)31-2)25(30)29-11-7-17(8-12-29)24-26-9-4-10-27-24/h3-7,9-10,19-20,22H,8,11-16H2,1-2H3/t19-,20-,22-/m1/s1
PubChem CID44441927
ChEMBLCHEMBL251110
IUPHARN/A
BindingDB50423357
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd489.78 nMPMID17512199ChEMBL
Kd490.0 nMPMID17512199BindingDB

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