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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

NameCHEMBL442605
Molecular formulaC28H35N5O3
IUPAC name(2S)-2-[(4R)-4-acetamido-3-oxo-1,4,5,10-tetrahydroazepino[3,4-b]indol-2-yl]-6-amino-N-(2-phenylethyl)hexanamide
Molecular weight489.62
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50254259
(5S)-5-[(4R)-4-(acetylamino)-3-oxo-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]-6-oxo-6-[(2-phenylethyl)amino]hexan-1-aminium trifluoroacetate
CHEMBL1185941
Inchi KeyBZBKOTKAPXOMFC-RSXGOPAZSA-N
Inchi IDInChI=1S/C28H35N5O3/c1-19(34)31-24-17-22-21-11-5-6-12-23(21)32-25(22)18-33(28(24)36)26(13-7-8-15-29)27(35)30-16-14-20-9-3-2-4-10-20/h2-6,9-12,24,26,32H,7-8,13-18,29H2,1H3,(H,30,35)(H,31,34)/t24-,26+/m1/s1
PubChem CID25188780
ChEMBLN/A
IUPHARN/A
BindingDB50254259
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50105.0 nMPMID19067538BindingDB

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