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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

NameCHEMBL3582330
Molecular formulaC25H21FN10O
IUPAC name5-[(1R,3R)-3-[5-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-1,3,4-oxadiazol-2-amine
Molecular weight496.51
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP0.9
SynonymsBDBM50091421
Inchi KeyBOKJQWGRYGDLOQ-KBMIEXCESA-N
Inchi IDInChI=1S/C25H21FN10O/c1-36-12-13(9-30-36)25(23-34-35-24(27)37-23)21-16(15-4-2-3-5-17(15)31-21)8-19(33-25)22-29-11-20(32-22)18-7-6-14(26)10-28-18/h2-7,9-12,19,31,33H,8H2,1H3,(H2,27,35)(H,29,32)/t19-,25-/m1/s1
PubChem CID122179470
ChEMBLCHEMBL3582330
IUPHARN/A
BindingDB50091421
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC505.3 nMPMID26005524BindingDB,ChEMBL
IC505.6 nMPMID26005524BindingDB,ChEMBL

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