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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

NameCHEMBL1161333
Molecular formulaC54H65N11O12S2
IUPAC name(4S,7S,10S,13S,17R,20R,23S,26R,29S)-29-amino-7,23,26-tribenzyl-17-hydroxy-10-[(1R)-1-hydroxyethyl]-20-(1H-indol-3-ylmethyl)-13,14-dimethyl-6,9,12,15,19,22,25,28-octaoxo-1,2-dithia-5,8,11,14,16,18,21,24,27-nonazacyclotriacontane-4-carboxylic acid
Molecular weight1124.3
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP0.3
SynonymsN/A
Inchi KeyAMSSXMFYNJXXDJ-HYJAQHSDSA-N
Inchi IDInChI=1S/C54H65N11O12S2/c1-30-45(67)62-44(31(2)66)51(73)60-41(25-34-19-11-6-12-20-34)49(71)61-43(52(74)75)29-79-78-28-37(55)46(68)57-39(23-32-15-7-4-8-16-32)47(69)58-40(24-33-17-9-5-10-18-33)48(70)59-42(50(72)63-53(76)64-54(77)65(30)3)26-35-27-56-38-22-14-13-21-36(35)38/h4-22,27,30-31,37,39-44,53,56,66,76H,23-26,28-29,55H2,1-3H3,(H,57,68)(H,58,69)(H,59,70)(H,60,73)(H,61,71)(H,62,67)(H,63,72)(H,64,77)(H,74,75)/t30-,31+,37+,39+,40-,41-,42+,43+,44-,53+/m0/s1
PubChem CID44368422
ChEMBLCHEMBL1161333
IUPHARN/A
BindingDBN/A
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 nMPMID14667212ChEMBL

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