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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

NameCHEMBL413888
Molecular formulaC81H106N16O17S2
IUPAC name(1R,4R,7R,10S,15R,18S,21S,24S,27R,30S,33S)-7-(4-aminobutyl)-10-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4,24-dibenzyl-27-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-33-(1H-indol-3-ylmethyl)-3,6,9,17,20,23,26,29,32,35,38-undecaoxo-30-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-12,13-dithia-2,5,8,16,19,22,25,28,31,34,39-undecazabicyclo[19.14.8]tritetracontane-15-carboxylic acid
Molecular weight1639.95
Hydrogen bond acceptor22
Hydrogen bond donor20
XlogP0.7
SynonymsBDBM50159453
cyclo(7-12) Des-AA1,5-[Tyr2,Glu7,D-Trp8,IAmp9,Lys12]SRIF
Inchi KeyAZFKTTJVIZFLRY-ASJVOSTASA-N
Inchi IDInChI=1S/C81H106N16O17S2/c1-46(2)85-41-52-26-24-51(25-27-52)39-63-77(109)97-69(47(3)99)80(112)93-62(38-49-18-8-5-9-19-49)75(107)87-59-23-13-15-35-84-68(101)33-32-60(73(105)92-64(76(108)91-63)40-53-42-86-57-21-11-10-20-55(53)57)89-74(106)61(37-48-16-6-4-7-17-48)90-71(103)58(22-12-14-34-82)88-79(111)66(95-70(102)56(83)36-50-28-30-54(100)31-29-50)44-115-116-45-67(81(113)114)96-78(110)65(43-98)94-72(59)104/h4-11,16-21,24-31,42,46-47,56,58-67,69,85-86,98-100H,12-15,22-23,32-41,43-45,82-83H2,1-3H3,(H,84,101)(H,87,107)(H,88,111)(H,89,106)(H,90,103)(H,91,108)(H,92,105)(H,93,112)(H,94,104)(H,95,102)(H,96,110)(H,97,109)(H,113,114)/t47-,56+,58-,59+,60-,61-,62+,63+,64+,65+,66-,67+,69-/m1/s1
PubChem CID44388106
ChEMBLCHEMBL413888
IUPHARN/A
BindingDB50159453
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
IC5053.0 nMPMID15658865BindingDB,ChEMBL

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