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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

NameCHEMBL436962
Molecular formulaC61H78N12O14S2
IUPAC name(4R,7S,10R,13S,16R,19S,22S,25S,28R,31S)-31-amino-19-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(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 weight1267.48
Hydrogen bond acceptor18
Hydrogen bond donor16
XlogP0.1
SynonymsDes-AA1,2,4,5-[D-Trp8]SRIF
BDBM50159458
D0J5OY
Inchi KeyCGHVCXMPDMMIFL-JFJBRMBESA-N
Inchi IDInChI=1S/C61H78N12O14S2/c1-34(75)50-59(84)69-46(28-38-20-10-5-11-21-38)57(82)73-51(35(2)76)60(85)70-48(31-74)58(83)71-49(61(86)87)33-89-88-32-41(63)52(77)66-44(26-36-16-6-3-7-17-36)54(79)67-45(27-37-18-8-4-9-19-37)55(80)68-47(29-39-30-64-42-23-13-12-22-40(39)42)56(81)65-43(53(78)72-50)24-14-15-25-62/h3-13,16-23,30,34-35,41,43-51,64,74-76H,14-15,24-29,31-33,62-63H2,1-2H3,(H,65,81)(H,66,77)(H,67,79)(H,68,80)(H,69,84)(H,70,85)(H,71,83)(H,72,78)(H,73,82)(H,86,87)/t34-,35-,41-,43+,44-,45+,46+,47+,48+,49+,50-,51-/m1/s1
PubChem CID44388022
ChEMBLCHEMBL436962
IUPHARN/A
BindingDB50159458
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
IC5079.0 nMPMID15658865BindingDB,ChEMBL

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