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GPCR

NameSomatostatin receptor type 3
SpeciesHomo sapiens (Human)
GeneSSTR3
SynonymSSR-28
SS3R
SS3-R
SS-3-R
SRIF1C
[ Show all ]
DiseaseN/A
Length418
Amino acid sequenceMDMLHPSSVSTTSEPENASSAWPPDATLGNVSAGPSPAGLAVSGVLIPLVYLVVCVVGLLGNSLVIYVVLRHTASPSVTNVYILNLALADELFMLGLPFLAAQNALSYWPFGSLMCRLVMAVDGINQFTSIFCLTVMSVDRYLAVVHPTRSARWRTAPVARTVSAAVWVASAVVVLPVVVFSGVPRGMSTCHMQWPEPAAAWRAGFIIYTAALGFFGPLLVICLCYLLIVVKVRSAGRRVWAPSCQRRRRSERRVTRMVVAVVALFVLCWMPFYVLNIVNVVCPLPEEPAFFGLYFLVVALPYANSCANPILYGFLSYRFKQGFRRVLLRPSRRVRSQEPTVGPPEKTEEEDEEEEDGEESREGGKGKEMNGRVSQITQPGTSGQERPPSRVASKEQQLLPQEASTGEKSSTMRISYL
UniProtP32745
Protein Data BankN/A
GPCR-HGmod modelP32745
3D structure modelThis predicted structure model is from GPCR-EXP P32745.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2028
IUPHAR357
DrugBankBE0003529

Ligand

NameCHEMBL559022
Molecular formulaC74H96IN15O15S2
IUPAC name(4R,7S,10S,13S,16S,19S,22R,25S,28S,31S,34R)-34-amino-31-(4-aminobutyl)-25,28-dibenzyl-10,16-bis[(1R)-1-hydroxyethyl]-13-[(4-hydroxy-3-iodophenyl)methyl]-7-(hydroxymethyl)-22-(1H-indol-3-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-carboxamide
Molecular weight1626.7
Hydrogen bond acceptor20
Hydrogen bond donor19
XlogP3.5
SynonymsCHEMBL1909004
BDBM50294236
Inchi KeyCEYONBPFQCRTMH-JIZHMVDYSA-N
Inchi IDInChI=1S/C74H96IN15O15S2/c1-40(2)79-35-46-24-22-45(23-25-46)32-56-70(101)89-62(41(3)92)73(104)86-57(33-47-26-27-61(94)50(75)29-47)71(102)90-63(42(4)93)74(105)87-59(37-91)72(103)88-60(64(78)95)39-107-106-38-51(77)65(96)81-53(21-13-14-28-76)66(97)82-54(30-43-15-7-5-8-16-43)67(98)83-55(31-44-17-9-6-10-18-44)68(99)85-58(69(100)84-56)34-48-36-80-52-20-12-11-19-49(48)52/h5-12,15-20,22-27,29,36,40-42,51,53-60,62-63,79-80,91-94H,13-14,21,28,30-35,37-39,76-77H2,1-4H3,(H2,78,95)(H,81,96)(H,82,97)(H,83,98)(H,84,100)(H,85,99)(H,86,104)(H,87,105)(H,88,103)(H,89,101)(H,90,102)/t41-,42-,51+,53+,54+,55+,56+,57+,58-,59+,60+,62+,63+/m1/s1
PubChem CID90660880
ChEMBLN/A
IUPHARN/A
BindingDB50294236
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
IC50618.0 nMPMID19351180BindingDB

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