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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

NameCHEMBL444639
Molecular formulaC77H99N13O15S2
IUPAC name(4R,7S,10R,13S,16R,19S,22S,25S,28R,31R,34S)-34-amino-31-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-29-methyl-22-(naphthalen-2-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid
Molecular weight1510.83
Hydrogen bond acceptor20
Hydrogen bond donor16
XlogP2.9
SynonymsBDBM50159396
Des-AA1,2,5-[(NalphaMe)Phe6,D-Nal8,IAmp9]SRIF
Inchi KeyCKNAFRHTSFRZSD-UHZBRYPMSA-N
Inchi IDInChI=1S/C77H99N13O15S2/c1-45(2)80-41-52-30-28-51(29-31-52)38-59-70(97)88-65(46(3)92)74(101)85-60(37-49-21-11-7-12-22-49)71(98)89-66(47(4)93)75(102)86-62(42-91)72(99)87-63(77(104)105)44-107-106-43-56(79)67(94)81-57(27-17-18-34-78)76(103)90(5)64(40-50-23-13-8-14-24-50)73(100)84-58(36-48-19-9-6-10-20-48)68(95)83-61(69(96)82-59)39-53-32-33-54-25-15-16-26-55(54)35-53/h6-16,19-26,28-33,35,45-47,56-66,80,91-93H,17-18,27,34,36-44,78-79H2,1-5H3,(H,81,94)(H,82,96)(H,83,95)(H,84,100)(H,85,101)(H,86,102)(H,87,99)(H,88,97)(H,89,98)(H,104,105)/t46-,47-,56-,57-,58+,59+,60+,61+,62+,63+,64-,65-,66-/m1/s1
PubChem CID44388035
ChEMBLCHEMBL444639
IUPHARN/A
BindingDB50159396
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 nMPMID15658864BindingDB,ChEMBL

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