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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

NameBDBM84616
Molecular formulaC47H62ClN9O8
IUPAC name(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]butan-2-yl]hexanamide
Molecular weight916.518
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP2.5
SynonymsCAS_150155-67-2
L-Alaninamide,4-chloro-D-phenylalanyl-L-alanyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-alanyl-3-(2-naphthalenyl)-(9CI)
BIM 23069
Inchi KeyLBQRHIOWEQVTQJ-LERJVNOYSA-N
Inchi IDInChI=1S/C47H62ClN9O8/c1-26(2)41(47(65)52-27(3)29(5)58)57-44(62)38(12-8-9-21-49)54-46(64)40(24-32-25-51-37-11-7-6-10-35(32)37)56-45(63)39(23-31-15-19-34(59)20-16-31)55-42(60)28(4)53-43(61)36(50)22-30-13-17-33(48)18-14-30/h6-7,10-11,13-20,25-28,36,38-41,51,59H,8-9,12,21-24,49-50H2,1-5H3,(H,52,65)(H,53,61)(H,54,64)(H,55,60)(H,56,63)(H,57,62)/t27-,28-,36+,38-,39-,40+,41-/m0/s1
PubChem CID57339782
ChEMBLN/A
IUPHARN/A
BindingDB84616
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1000.0 nMPMID7988476BindingDB

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