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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

NameCHEMBL263292
Molecular formulaC58H72N12O13S2
IUPAC name(4R,7S,10R,13S,16R,19S,22R,25S)-13-(4-aminobutyl)-7,22-dibenzyl-25-[[(2R)-2-(carbamoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Molecular weight1209.41
Hydrogen bond acceptor16
Hydrogen bond donor15
XlogP0.2
SynonymsBDBM50136808
Inchi KeyAUSJXPHBBAYKTR-WMQOXTIQSA-N
Inchi IDInChI=1S/C58H72N12O13S2/c1-32-49(73)64-45(28-37-29-61-40-18-10-9-17-39(37)40)54(78)63-41(19-11-12-24-59)50(74)70-48(33(2)71)56(80)66-43(26-35-15-7-4-8-16-35)52(76)68-47(57(81)82)31-85-84-30-46(55(79)65-42(51(75)62-32)25-34-13-5-3-6-14-34)67-53(77)44(69-58(60)83)27-36-20-22-38(72)23-21-36/h3-10,13-18,20-23,29,32-33,41-48,61,71-72H,11-12,19,24-28,30-31,59H2,1-2H3,(H,62,75)(H,63,78)(H,64,73)(H,65,79)(H,66,80)(H,67,77)(H,68,76)(H,70,74)(H,81,82)(H3,60,69,83)/t32-,33+,41-,42+,43-,44+,45+,46+,47-,48+/m0/s1
PubChem CID44367958
ChEMBLN/A
IUPHARN/A
BindingDB50136808
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
IC502.4 nMPMID14667214BindingDB

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