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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

NameCHEMBL2370299
Molecular formulaC52H71N11O10S2
IUPAC name(4R,7S,10R,13S,16R,19S)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1074.33
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP1.9
SynonymsBDBM50455451
Inchi KeyAZWRXXBRHTVTIO-LKWHWXDISA-N
Inchi IDInChI=1S/C52H71N11O10S2/c1-28(2)41-50(72)60-40(49(71)62-42(29(3)64)44(55)66)27-74-75-52(4,5)43(63-45(67)35(54)23-30-13-7-6-8-14-30)51(73)59-38(24-31-18-20-33(65)21-19-31)47(69)58-39(25-32-26-56-36-16-10-9-15-34(32)36)48(70)57-37(46(68)61-41)17-11-12-22-53/h6-10,13-16,18-21,26,28-29,35,37-43,56,64-65H,11-12,17,22-25,27,53-54H2,1-5H3,(H2,55,66)(H,57,70)(H,58,69)(H,59,73)(H,60,72)(H,61,68)(H,62,71)(H,63,67)/t29-,35-,37-,38-,39+,40+,41+,42+,43+/m1/s1
PubChem CID73348486
ChEMBLN/A
IUPHARN/A
BindingDB50455451
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
IC501000.0 nMPMID9544214BindingDB

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