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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

NameBDBM84621
Molecular formulaC61H69N11O9S2
IUPAC name(6S,9S,12R,15S)-9-(4-aminobutyl)-N-(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)-18-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-6-propan-2-yl-1,2-dithia-4,7,10,13,16-pentazacyclooctadecane-3-carboxamide
Molecular weight1164.41
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP6.1
SynonymsN/A
Inchi KeyVQIMHAVNZCCZNX-RYZOTEISSA-N
Inchi IDInChI=1S/C61H69N11O9S2/c1-34(2)51-57(79)72-61(58(80)67-48(52(64)74)31-37-19-23-39-12-4-6-14-41(39)28-37)83-82-60(71-53(75)45(63)29-36-18-22-38-11-3-5-13-40(38)27-36)59(81)69-49(30-35-20-24-43(73)25-21-35)55(77)68-50(32-42-33-65-46-16-8-7-15-44(42)46)56(78)66-47(54(76)70-51)17-9-10-26-62/h3-8,11-16,18-25,27-28,33-34,45,47-51,60-61,65,73H,9-10,17,26,29-32,62-63H2,1-2H3,(H2,64,74)(H,66,78)(H,67,80)(H,68,77)(H,69,81)(H,70,76)(H,71,75)(H,72,79)/t45?,47-,48?,49-,50+,51-,60?,61?/m0/s1
PubChem CID57339787
ChEMBLN/A
IUPHARN/A
BindingDB84621
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1000.0 nMPMID8100350, PMID7988476BindingDB

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