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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

NameCHEMBL262551
Molecular formulaC83H111N15O16S2
IUPAC name(2S)-6-amino-2-[[(4R,7S,10R,13S,16R,19S,22S,25S,28R,31R,34S)-34-amino-31-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-5-methyl-22-(naphthalen-2-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]hexanoic acid
Molecular weight1639.01
Hydrogen bond acceptor22
Hydrogen bond donor18
XlogP2.4
SynonymsBDBM50159426
Des-AA1,2,5-[D-Nal8,IAmp9,(NalphaMe)Cys14]SRIF-Lys
Inchi KeyCJEKIPJGWKBLBA-VWIBYTEXSA-N
Inchi IDInChI=1S/C83H111N15O16S2/c1-49(2)87-45-56-33-31-55(32-34-56)43-65-77(107)96-70(50(3)100)80(110)94-66(42-54-25-13-8-14-26-54)78(108)97-71(51(4)101)81(111)95-68(46-99)82(112)98(5)69(79(109)89-62(83(113)114)30-18-20-38-85)48-116-115-47-60(86)72(102)88-61(29-17-19-37-84)73(103)90-63(40-52-21-9-6-10-22-52)74(104)91-64(41-53-23-11-7-12-24-53)75(105)93-67(76(106)92-65)44-57-35-36-58-27-15-16-28-59(58)39-57/h6-16,21-28,31-36,39,49-51,60-71,87,99-101H,17-20,29-30,37-38,40-48,84-86H2,1-5H3,(H,88,102)(H,89,109)(H,90,103)(H,91,104)(H,92,106)(H,93,105)(H,94,110)(H,95,111)(H,96,107)(H,97,108)(H,113,114)/t50-,51-,60-,61-,62+,63-,64+,65+,66+,67+,68+,69+,70-,71-/m1/s1
PubChem CID44388085
ChEMBLCHEMBL262551
IUPHARN/A
BindingDB50159426
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50255.0 nMPMID15658864BindingDB,ChEMBL

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