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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

NameCHEMBL251754
Molecular formulaC25H27F3N6O4S2
IUPAC name[(3R,4aR,10aR)-1-methyl-3-[4-([1,2,5]thiadiazolo[3,4-b]pyridin-5-yl)piperazine-1-carbonyl]-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl] trifluoromethanesulfonate
Molecular weight596.644
Hydrogen bond acceptor13
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50423314
Inchi KeyIJHTWXFTMOWFMI-MBOZVWFJSA-N
Inchi IDInChI=1S/C25H27F3N6O4S2/c1-32-14-17(24(35)34-9-7-33(8-10-34)22-6-5-19-23(29-22)31-39-30-19)11-16-12-18-15(13-20(16)32)3-2-4-21(18)38-40(36,37)25(26,27)28/h2-6,16-17,20H,7-14H2,1H3/t16-,17-,20-/m1/s1
PubChem CID44441673
ChEMBLCHEMBL251754
IUPHARN/A
BindingDB50423314
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Kd0.398 nMPMID17507221BindingDB
Kd0.3981 nMPMID17507221ChEMBL

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