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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

NameCHEMBL265839
Molecular formulaC76H104N16O18S2
IUPAC name(1R,4R,7R,10S,15R,18S,21R,24R,27R,30S,33S)-7-(4-aminobutyl)-10-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-benzyl-21,27-bis[(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[22.11.8]tritetracontane-15-carboxylic acid
Molecular weight1593.88
Hydrogen bond acceptor23
Hydrogen bond donor21
XlogP-0.9
SynonymsBDBM50159467
cyclo(7-11) Des-AA1,5-[Tyr2,Glu7,D-Trp8,IAmp9,Lys11]SRIF
Inchi KeyARCVJEAAJCWJGB-MOPAUFAESA-N
Inchi IDInChI=1S/C76H104N16O18S2/c1-41(2)80-36-47-22-20-46(21-23-47)34-57-71(104)92-63(42(3)94)74(107)84-54-19-11-13-31-79-62(97)29-28-55(67(100)87-58(70(103)86-57)35-48-37-81-52-17-9-8-16-50(48)52)83-69(102)56(33-44-14-6-5-7-15-44)85-66(99)53(18-10-12-30-77)82-73(106)60(89-65(98)51(78)32-45-24-26-49(96)27-25-45)39-111-112-40-61(76(109)110)90-72(105)59(38-93)88-75(108)64(43(4)95)91-68(54)101/h5-9,14-17,20-27,37,41-43,51,53-61,63-64,80-81,93-96H,10-13,18-19,28-36,38-40,77-78H2,1-4H3,(H,79,97)(H,82,106)(H,83,102)(H,84,107)(H,85,99)(H,86,103)(H,87,100)(H,88,108)(H,89,98)(H,90,105)(H,91,101)(H,92,104)(H,109,110)/t42-,43-,51+,53-,54-,55-,56-,57+,58+,59+,60-,61+,63-,64-/m1/s1
PubChem CID44388079
ChEMBLCHEMBL265839
IUPHARN/A
BindingDB50159467
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 nMPMID15658865BindingDB,ChEMBL

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