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GPCR

NameSomatostatin receptor type 1
SpeciesHomo sapiens (Human)
GeneSSTR1
SynonymSRIF-2
SS-1-R
SS1-R
SS1R
SST1 receptor
DiseaseAlzheimer disease
Cushing's disease
Neuroendocrine cancer
Length391
Amino acid sequenceMFPNGTASSPSSSPSPSPGSCGEGGGSRGPGAGAADGMEEPGRNASQNGTLSEGQGSAILISFIYSVVCLVGLCGNSMVIYVILRYAKMKTATNIYILNLAIADELLMLSVPFLVTSTLLRHWPFGALLCRLVLSVDAVNMFTSIYCLTVLSVDRYVAVVHPIKAARYRRPTVAKVVNLGVWVLSLLVILPIVVFSRTAANSDGTVACNMLMPEPAQRWLVGFVLYTFLMGFLLPVGAICLCYVLIIAKMRMVALKAGWQQRKRSERKITLMVMMVVMVFVICWMPFYVVQLVNVFAEQDDATVSQLSVILGYANSCANPILYGFLSDNFKRSFQRILCLSWMDNAAEEPVDYYATALKSRAYSVEDFQPENLESGGVFRNGTCTSRITTL
UniProtP30872
Protein Data BankN/A
GPCR-HGmod modelP30872
3D structure modelThis predicted structure model is from GPCR-EXP P30872.
BioLiPN/A
Therapeutic Target DatabaseT16633
ChEMBLCHEMBL1917
IUPHAR355
DrugBankBE0000452

Ligand

NameCHEMBL92545
Molecular formulaC31H34N4O2S
IUPAC name(6R,10R,11aR)-10-(2-aminoethyl)-6-(1H-indol-3-ylmethyl)-2-(naphthalen-1-ylmethyl)-3,4,9,10,11,11a-hexahydropyrrolo[1,2-d][1,4,7]thiadiazonine-1,7-dione
Molecular weight526.699
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.4
Synonyms(2R,5R,11R)-2-(1H-Indole-3-ylmethyl)-7-(1-naphthylmethyl)-11-(2-aminoethyl)-2,3,6,7,8,9-hexahydro-4(5H),5-propano-1,4,7-thiadiazonine-3,6-dione
Inchi KeyAPFSLJDYUSYXHY-HBTXSTMGSA-N
Inchi IDInChI=1S/C31H34N4O2S/c32-13-12-21-16-28-30(36)34(20-23-8-5-7-22-6-1-2-9-25(22)23)14-15-38-29(31(37)35(28)19-21)17-24-18-33-27-11-4-3-10-26(24)27/h1-11,18,21,28-29,33H,12-17,19-20,32H2/t21-,28-,29-/m1/s1
PubChem CID44325126
ChEMBLCHEMBL92545
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition13.0 %PMID11133079ChEMBL

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