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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

NameCHEMBL503379
Molecular formulaC41H48F3N7O7S
IUPAC nameN-[(4R)-2-[(2S)-6-amino-1-(benzylamino)-1-oxohexan-2-yl]-3-oxo-1,4,5,10-tetrahydroazepino[3,4-b]indol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
Molecular weight839.932
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyAOROARHDUIGAQH-ZATLWKIUSA-N
Inchi IDInChI=1S/C39H47N7O5S.C2HF3O2/c1-52(50,51)46-26-39(30-14-6-8-16-34(30)46)18-21-44(22-19-39)38(49)43-32-23-29-28-13-5-7-15-31(28)42-33(29)25-45(37(32)48)35(17-9-10-20-40)36(47)41-24-27-11-3-2-4-12-27;3-2(4,5)1(6)7/h2-8,11-16,32,35,42H,9-10,17-26,40H2,1H3,(H,41,47)(H,43,49);(H,6,7)/t32-,35+;/m1./s1
PubChem CID25187952
ChEMBLCHEMBL503379
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC50837.0 nMPMID19067538ChEMBL

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