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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

NameCHEMBL440074
Molecular formulaC81H105IN16O17S2
IUPAC name(1R,4R,7R,10S,15R,18S,21S,24S,27R,30S,33S)-7-(4-aminobutyl)-10-[[(2S)-2-amino-3-(4-hydroxy-2-iodophenyl)propanoyl]amino]-4,24-dibenzyl-27-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-33-(1H-indol-3-ylmethyl)-3,6,9,17,20,23,26,29,32,35,38-undecaoxo-30-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-12,13-dithia-2,5,8,16,19,22,25,28,31,34,39-undecazabicyclo[19.14.8]tritetracontane-15-carboxylic acid
Molecular weight1765.85
Hydrogen bond acceptor22
Hydrogen bond donor20
XlogP1.4
SynonymsBDBM50159442
cyclo(7-12) Des-AA1,5-[m-I-Tyr2,Glu7,D-Trp8,IAmp9,Lys12]SRIF
Inchi KeyBJZQILMOQDPOKF-DRYBDKRHSA-N
Inchi IDInChI=1S/C81H105IN16O17S2/c1-45(2)86-40-50-26-24-49(25-27-50)36-63-77(110)98-69(46(3)100)80(113)94-62(35-48-18-8-5-9-19-48)75(108)88-59-23-13-15-33-85-68(102)31-30-60(73(106)93-64(76(109)92-63)38-52-41-87-57-21-11-10-20-54(52)57)90-74(107)61(34-47-16-6-4-7-17-47)91-71(104)58(22-12-14-32-83)89-79(112)66(96-70(103)56(84)37-51-28-29-53(101)39-55(51)82)43-116-117-44-67(81(114)115)97-78(111)65(42-99)95-72(59)105/h4-11,16-21,24-29,39,41,45-46,56,58-67,69,86-87,99-101H,12-15,22-23,30-38,40,42-44,83-84H2,1-3H3,(H,85,102)(H,88,108)(H,89,112)(H,90,107)(H,91,104)(H,92,109)(H,93,106)(H,94,113)(H,95,105)(H,96,103)(H,97,111)(H,98,110)(H,114,115)/t46-,56+,58-,59+,60-,61-,62+,63+,64+,65+,66-,67+,69-/m1/s1
PubChem CID44388135
ChEMBLCHEMBL440074
IUPHARN/A
BindingDB50159442
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
IC50<1000.0 nMPMID15658865BindingDB,ChEMBL

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