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GPCR

NameSomatostatin receptor type 4
SpeciesMus musculus (Mouse)
GeneSstr4
SynonymSRIF2B
SS-4-R
SS4-R
SS4R
SST4 receptor
DiseaseN/A for non-human GPCRs
Length385
Amino acid sequenceMNAPATLPPGVEDTTWTPGINASWAPDEEEEDAMGSDGTGTAGMVTIQCIYALVCLVGLVGNALVIFVILRYAKMKTATNIYLLNLAVADELFMLSVPFARSAAALRHWPFGAVLCRAVLSVDGLNMFTSVFCLTVLSVDRYVAVVHPLATATYRRPSVAKLINLGVWLASLLVTLPIAVFADTRPARGGEAVACNLHWPHPAWSAVFVIYTFLLGFLPPVLAIGLCYLLIVGKMRAVALAGGWQQRRRSEKKITRLVLMVVTVFVLCWMPFYVVQLLNLFVTSLDATVNHVSLILSYANSCANPILYGFLSDNFRRSFQRVLCLRCCLLETTGGAEEEPLDYYATALKSRGGAGCICPPLPCQQEPVQAEPGCKQVPFTKTTTF
UniProtP49660
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4397
IUPHAR358
DrugBankN/A

Ligand

NameOctreotide
Molecular formulaC49H66N10O10S2
IUPAC name(4R,7R,10R,13R,16R)-10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-[(2S)-1,3-dihydroxybutan-2-yl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1019.25
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP1.0
SynonymsCHEMBL405598
BDBM50059090
10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (2-hydroxy-1-hydroxymethyl-propyl)-amide
Inchi KeyDEQANNDTNATYII-LIXSYSMXSA-N
Inchi IDInChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
PubChem CID44311916
ChEMBLN/A
IUPHARN/A
BindingDB50059090
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
Ki1000.0 nMPMID7870182BindingDB

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