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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

NameCHEMBL429164
Molecular formulaC84H111N17O18S2
IUPAC name(1R,4R,7R,10S,15R,18S,21R,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)-3,6,9,17,20,23,26,29,32,35,38,43-dodecaoxo-30-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-12,13-dithia-2,5,8,16,19,22,25,28,31,34,39,44-dodecazabicyclo[19.14.12]heptatetracontane-15-carboxylic acid
Molecular weight1711.03
Hydrogen bond acceptor23
Hydrogen bond donor21
XlogP0.0
SynonymsBDBM50159441
cyclo(7-12) Des-AA1,5-[Tyr2,Glu7,D-Trp8,IAmp9,Orn(Gaba)12]SRIF
Inchi KeyAVDUOJCECDGHAO-LMPAMSSKSA-N
Inchi IDInChI=1S/C84H111N17O18S2/c1-48(2)89-43-54-27-25-53(26-28-54)41-65-80(114)101-72(49(3)103)83(117)97-64(40-51-18-8-5-9-19-51)78(112)91-61-23-14-36-87-70(105)24-15-37-88-71(106)34-33-62(76(110)96-66(79(113)95-65)42-55-44-90-59-21-11-10-20-57(55)59)93-77(111)63(39-50-16-6-4-7-17-50)94-74(108)60(22-12-13-35-85)92-82(116)68(99-73(107)58(86)38-52-29-31-56(104)32-30-52)46-120-121-47-69(84(118)119)100-81(115)67(45-102)98-75(61)109/h4-11,16-21,25-32,44,48-49,58,60-69,72,89-90,102-104H,12-15,22-24,33-43,45-47,85-86H2,1-3H3,(H,87,105)(H,88,106)(H,91,112)(H,92,116)(H,93,111)(H,94,108)(H,95,113)(H,96,110)(H,97,117)(H,98,109)(H,99,107)(H,100,115)(H,101,114)(H,118,119)/t49-,58+,60-,61-,62-,63-,64+,65+,66+,67+,68-,69+,72-/m1/s1
PubChem CID44388133
ChEMBLCHEMBL429164
IUPHARN/A
BindingDB50159441
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
IC50167.0 nMPMID15658865BindingDB,ChEMBL

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