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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

NameBDBM50136762
Molecular formulaC55H67N12O11S2-
IUPAC name(7R,10S,13R,16S,19R,28R)-28-amino-13-(4-aminobutyl)-22-benzoyl-7,19-dibenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-24-methyl-6,9,12,15,18,21,23,27-octaoxo-1,2-dithia-5,8,11,14,17,20,22,24,26-nonazacyclononacosan-25-olate
Molecular weight1136.33
Hydrogen bond acceptor15
Hydrogen bond donor11
XlogP3.7
Synonyms(7R,10S,13R,16S,19R,28R)-28-amino-13-(4-aminobutyl)-22-benzoyl-7,19-dibenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-24-methyl-6,9,12,15,18,21,23,27-octaoxo-1,2-dithia-5,8,11,14,17,20,22,24,26-nonaazacyclononacosan-25-olate
Inchi KeyBOBPCRWLCOIPEO-LMLVUDSVSA-N
Inchi IDInChI=1S/C55H67N12O11S2/c1-33(68)45-51(74)62-42(28-34-16-6-3-7-17-34)47(70)58-26-27-79-80-32-39(57)46(69)65-53(76)66(2)55(78)67(52(75)36-20-10-5-11-21-36)54(77)63-43(29-35-18-8-4-9-19-35)49(72)61-44(30-37-31-59-40-23-13-12-22-38(37)40)50(73)60-41(48(71)64-45)24-14-15-25-56/h3-13,16-23,31,33,39,41-45,53,59,68H,14-15,24-30,32,56-57H2,1-2H3,(H,58,70)(H,60,73)(H,61,72)(H,62,74)(H,63,77)(H,64,71)(H,65,69)/q-1/t33-,39+,41-,42-,43-,44+,45+,53?/m1/s1
PubChem CID44368018
ChEMBLN/A
IUPHARN/A
BindingDB50136762
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
IC50<10000.0 nMPMID14667212BindingDB
IC50667.0 nMPMID14667212BindingDB

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