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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

NameCHEMBL414446
Molecular formulaC57H68IN9O10S2
IUPAC name(4R,7S,10R,13S,16S,19S,22R,25S)-25-amino-13-(4-aminobutyl)-7,22-dibenzyl-10-[(1R)-1-hydroxyethyl]-19-[(4-iodophenyl)methyl]-16-[(1R)-1-naphthalen-2-ylethyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Molecular weight1230.25
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP3.2
SynonymsBDBM50136773
6-amino-18-(4-aminobutyl)-9,24-dibenzyl-21-(1-hydroxyethyl)-12-(4-iodobenzyl)-15-[1-(2-naphthyl)ethyl]-7,10,13,16,19,22,25-heptaoxo-3,4-dithia-8,11,14,17,20,23,26-heptaazacyclohexacosane-1-carboxylic acid
Inchi KeyCAZXDBJBVRZERN-SLMGJGRXSA-N
Inchi IDInChI=1S/C57H68IN9O10S2/c1-33(39-23-22-38-17-9-10-18-40(38)30-39)48-55(74)61-43(19-11-12-26-59)51(70)67-49(34(2)68)56(75)64-45(28-36-15-7-4-8-16-36)53(72)65-47(57(76)77)32-79-78-31-42(60)50(69)62-44(27-35-13-5-3-6-14-35)52(71)63-46(54(73)66-48)29-37-20-24-41(58)25-21-37/h3-10,13-18,20-25,30,33-34,42-49,68H,11-12,19,26-29,31-32,59-60H2,1-2H3,(H,61,74)(H,62,69)(H,63,71)(H,64,75)(H,65,72)(H,66,73)(H,67,70)(H,76,77)/t33-,34-,42-,43+,44-,45+,46+,47+,48+,49-/m1/s1
PubChem CID44368117
ChEMBLCHEMBL414446
IUPHARN/A
BindingDB50136773
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<1000.0 nMPMID14667213BindingDB,ChEMBL

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