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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

NameCHEMBL1794041
Molecular formulaC58H69ClN12O9S2
IUPAC name(4S,7R,13R,19R)-10-(4-aminobutyl)-19-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]-N-(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)-7-[(1S)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-17-methyl-6,9,12,15,18-pentaoxo-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1177.83
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP3.8
SynonymsBDBM50370059
Inchi KeyAOPLAOVEFIRXSX-UYNAGFMSSA-N
Inchi IDInChI=1S/C58H69ClN12O9S2/c1-33(72)50-57(79)68-47(55(77)66-45(51(62)73)26-35-16-19-37-11-3-4-12-38(37)24-35)31-81-82-32-48(69-52(74)42(61)25-34-17-20-40(59)21-18-34)58(80)71(2)49(27-36-10-9-23-63-29-36)56(78)67-46(28-39-30-64-43-14-6-5-13-41(39)43)54(76)65-44(53(75)70-50)15-7-8-22-60/h3-6,9-14,16-21,23-24,29-30,33,42,44-50,64,72H,7-8,15,22,25-28,31-32,60-61H2,1-2H3,(H2,62,73)(H,65,76)(H,66,77)(H,67,78)(H,68,79)(H,69,74)(H,70,75)/t33-,42?,44?,45?,46+,47+,48-,49?,50+/m0/s1
PubChem CID56668218
ChEMBLN/A
IUPHARN/A
BindingDB50370059
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
Ki1000.0 nMPMID11312929BindingDB

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