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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

NameCHEMBL466609
Molecular formulaC34H39N5O3
IUPAC name(2S)-6-amino-2-[(4R)-3-oxo-4-[(2-phenylacetyl)amino]-1,4,5,10-tetrahydroazepino[3,4-b]indol-2-yl]-N-[(1S)-1-phenylethyl]hexanamide
Molecular weight565.718
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.8
SynonymsBDBM50254255
(5S)-6-oxo-5-[(4R)-3-oxo-4-[(phenylacetyl)amino]-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]-6-{[(1S)-1-phenylethyl]amino}hexan-1-aminium trifluoroacetate
CHEMBL1186489
Inchi KeyCJQHVGHBOCFMAH-CZXVKTRTSA-N
Inchi IDInChI=1S/C34H39N5O3/c1-23(25-14-6-3-7-15-25)36-33(41)31(18-10-11-19-35)39-22-30-27(26-16-8-9-17-28(26)37-30)21-29(34(39)42)38-32(40)20-24-12-4-2-5-13-24/h2-9,12-17,23,29,31,37H,10-11,18-22,35H2,1H3,(H,36,41)(H,38,40)/t23-,29+,31-/m0/s1
PubChem CID25188220
ChEMBLN/A
IUPHARN/A
BindingDB50254255
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50183.0 nMPMID19067538BindingDB

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