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GPCR

NameSomatostatin receptor type 3
SpeciesMus musculus (Mouse)
GeneSstr3
SynonymSSR-28
SS3R
SS3-R
SS-3-R
SRIF1C
[ Show all ]
DiseaseN/A for non-human GPCRs
Length428
Amino acid sequenceMATVTYPSSEPTTLDPGNASSTWPLDTTLGNTSAGASLTGLAVSGILISLVYLVVCVVGLLGNSLVIYVVLRHTSSPSVTSVYILNLALADELFMLGLPFLAAQNALSYWPFGSLMCRLVMAVDGINQFTSIFCLTVMSVDRYLAVVHPTRSARWRTAPVARTVSAAVWVASAVVVLPVVVFSGVPRGMSTCHMQWPEPAAAWRTAFIIYTAALGFFGPLLVICLCYLLIVVKVRSTTRRVRAPSCQWVQAPACQRRRRSERRVTRMVVAVVALFVLCWMPFYLLNIVNVVCPLPEEPAFFGLYFLVVALPYANSCANPILYGFLSYRFKQGFRRILLRPSRRIRSQEPGSGPPEKTEEEEDEEEEERREEEERRMQRGQEMNGRLSQIAQAGTSGQQPRPCTGTAKEQQLLPQEATAGDKASTLSHL
UniProtP30935
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2238
IUPHAR357
DrugBankN/A

Ligand

NameBDBM82456
Molecular formulaC45H57N9O8S2
IUPAC name(6S,9S,12R,15S)-9-(4-aminobutyl)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-6-propan-2-yl-1,2-dithia-4,7,10,13,16-pentazacyclononadecane-3-carboxamide
Molecular weight916.126
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP3.0
SynonymsCAS_117580-24-2
BIM 23030
Inchi KeyXFRLQUSWDUGLDK-DJWPHTHZSA-N
Inchi IDInChI=1S/C45H57N9O8S2/c1-26(2)38-43(61)54-45(44(62)51-34(39(47)57)22-27-10-4-3-5-11-27)64-63-21-19-37(56)49-35(23-28-15-17-30(55)18-16-28)41(59)52-36(24-29-25-48-32-13-7-6-12-31(29)32)42(60)50-33(40(58)53-38)14-8-9-20-46/h3-7,10-13,15-18,25-26,33-36,38,45,48,55H,8-9,14,19-24,46H2,1-2H3,(H2,47,57)(H,49,56)(H,50,60)(H,51,62)(H,52,59)(H,53,58)(H,54,61)/t33-,34-,35-,36+,38-,45?/m0/s1
PubChem CID57339667
ChEMBLN/A
IUPHARN/A
BindingDB82456
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
Ki133.0 nMPMID8100350BindingDB
Ki245.47 nMPMID7870182BindingDB

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