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GPCR

NameSomatostatin receptor type 4
SpeciesHomo sapiens (Human)
GeneSSTR4
SynonymSS4R
SS4-R
SS-4-R
SRIF2B
SST4 receptor
DiseaseN/A
Length388
Amino acid sequenceMSAPSTLPPGGEEGLGTAWPSAANASSAPAEAEEAVAGPGDARAAGMVAIQCIYALVCLVGLVGNALVIFVILRYAKMKTATNIYLLNLAVADELFMLSVPFVASSAALRHWPFGSVLCRAVLSVDGLNMFTSVFCLTVLSVDRYVAVVHPLRAATYRRPSVAKLINLGVWLASLLVTLPIAIFADTRPARGGQAVACNLQWPHPAWSAVFVVYTFLLGFLLPVLAIGLCYLLIVGKMRAVALRAGWQQRRRSEKKITRLVLMVVVVFVLCWMPFYVVQLLNLFVTSLDATVNHVSLILSYANSCANPILYGFLSDNFRRFFQRVLCLRCCLLEGAGGAEEEPLDYYATALKSKGGAGCMCPPLPCQQEALQPEPGRKRIPLTRTTTF
UniProtP31391
Protein Data BankN/A
GPCR-HGmod modelP31391
3D structure modelThis predicted structure model is from GPCR-EXP P31391.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1853
IUPHAR358
DrugBankBE0009273

Ligand

NameCHEMBL3218121
Molecular formulaC36H50N6O5
IUPAC name1-(4-aminobutyl)-9-benzyl-13-[(2R)-2-hydroxypropyl]-5-[2-(1H-indol-3-yl)ethyl]-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
Molecular weight646.833
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP0.8
SynonymsN/A
Inchi KeyCFQNIMHZPDPNQN-MUUNZHRXSA-N
Inchi IDInChI=1S/C36H50N6O5/c1-28(43)26-41-23-17-36(47)42(27-29-9-3-2-4-10-29)24-16-34(45)40(20-13-30-25-38-32-12-6-5-11-31(30)32)22-14-33(44)39(19-8-7-18-37)21-15-35(41)46/h2-6,9-12,25,28,38,43H,7-8,13-24,26-27,37H2,1H3/t28-/m1/s1
PubChem CID90665459
ChEMBLCHEMBL3218121
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki4900.0 nMMedChemComm, (2012) 3:12:1531ChEMBL

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