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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

NameBDBM84620
Molecular formulaC54H70N10O10S2
IUPAC name10-(4-aminobutyl)-19-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1083.33
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP2.9
SynonymsDC23-60
Inchi KeyCWNNRQPIBSUEOD-UHFFFAOYSA-N
Inchi IDInChI=1S/C54H70N10O10S2/c1-30(2)47-54(74)63-46(53(73)61-44(27-65)31(3)66)29-76-75-28-45(62-48(68)39(56)24-34-13-10-12-33-11-4-5-14-37(33)34)52(72)59-42(23-32-18-20-36(67)21-19-32)50(70)60-43(25-35-26-57-40-16-7-6-15-38(35)40)51(71)58-41(49(69)64-47)17-8-9-22-55/h4-7,10-16,18-21,26,30-31,39,41-47,57,65-67H,8-9,17,22-25,27-29,55-56H2,1-3H3,(H,58,71)(H,59,72)(H,60,70)(H,61,73)(H,62,68)(H,63,74)(H,64,69)
PubChem CID57339786
ChEMBLN/A
IUPHARN/A
BindingDB84620
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
Ki73.0 nMPMID7988476BindingDB

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