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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

NameCHEMBL1076653
Molecular formulaC31H40N4O5
IUPAC name[(3S,4aS,8aS)-1-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
Molecular weight548.684
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.6
SynonymsN/A
Inchi KeyATZADORLXNSGND-KHHYLTRUSA-N
Inchi IDInChI=1S/C31H40N4O5/c1-22(16-23-6-11-29-30(17-23)40-21-39-29)19-34-20-25(18-24-4-2-3-5-28(24)34)31(36)33-14-12-32(13-15-33)26-7-9-27(10-8-26)35(37)38/h6-11,17,22,24-25,28H,2-5,12-16,18-21H2,1H3/t22?,24-,25-,28-/m0/s1
PubChem CID46880576
ChEMBLCHEMBL1076653
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Kd2454.71 nMPMID20137944ChEMBL

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