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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

NameCHEMBL410047
Molecular formulaC62H79N13O14S2
IUPAC name(4R,7R,10S,13R,16S,19S,22S,25R,28S,31S)-31-amino-16-(4-aminobutyl)-28-(2-amino-2-oxoethyl)-10,22,25-tribenzyl-7,13-bis[(1R)-1-hydroxyethyl]-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carboxylic acid
Molecular weight1294.51
Hydrogen bond acceptor18
Hydrogen bond donor16
XlogP-1.0
SynonymsDes-AA1,2,4,13-[D-Trp8]SRIF
BDBM50159444
D0C5RH
Inchi KeyAQDRYTXOCJPYQG-WJYXJFIFSA-N
Inchi IDInChI=1S/C62H79N13O14S2/c1-34(76)51-60(86)72-46(28-38-20-10-5-11-21-38)59(85)75-52(35(2)77)61(87)73-49(62(88)89)33-91-90-32-41(64)53(79)68-48(30-50(65)78)58(84)70-44(26-36-16-6-3-7-17-36)55(81)69-45(27-37-18-8-4-9-19-37)56(82)71-47(29-39-31-66-42-23-13-12-22-40(39)42)57(83)67-43(54(80)74-51)24-14-15-25-63/h3-13,16-23,31,34-35,41,43-49,51-52,66,76-77H,14-15,24-30,32-33,63-64H2,1-2H3,(H2,65,78)(H,67,83)(H,68,79)(H,69,81)(H,70,84)(H,71,82)(H,72,86)(H,73,87)(H,74,80)(H,75,85)(H,88,89)/t34-,35-,41-,43+,44-,45+,46+,47+,48+,49+,51-,52-/m1/s1
PubChem CID44388125
ChEMBLCHEMBL410047
IUPHARN/A
BindingDB50159444
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
IC50112.0 nMPMID15658865BindingDB,ChEMBL

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