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GPCR

NameSomatostatin receptor type 3
SpeciesHomo sapiens (Human)
GeneSSTR3
SynonymSSR-28
SS3R
SS3-R
SS-3-R
SRIF1C
[ Show all ]
DiseaseN/A
Length418
Amino acid sequenceMDMLHPSSVSTTSEPENASSAWPPDATLGNVSAGPSPAGLAVSGVLIPLVYLVVCVVGLLGNSLVIYVVLRHTASPSVTNVYILNLALADELFMLGLPFLAAQNALSYWPFGSLMCRLVMAVDGINQFTSIFCLTVMSVDRYLAVVHPTRSARWRTAPVARTVSAAVWVASAVVVLPVVVFSGVPRGMSTCHMQWPEPAAAWRAGFIIYTAALGFFGPLLVICLCYLLIVVKVRSAGRRVWAPSCQRRRRSERRVTRMVVAVVALFVLCWMPFYVLNIVNVVCPLPEEPAFFGLYFLVVALPYANSCANPILYGFLSYRFKQGFRRVLLRPSRRVRSQEPTVGPPEKTEEEDEEEEDGEESREGGKGKEMNGRVSQITQPGTSGQERPPSRVASKEQQLLPQEASTGEKSSTMRISYL
UniProtP32745
Protein Data BankN/A
GPCR-HGmod modelP32745
3D structure modelThis predicted structure model is from GPCR-EXP P32745.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2028
IUPHAR357
DrugBankBE0003529

Ligand

NameCHEMBL451932
Molecular formulaC55H74ClN13O10S2
IUPAC name(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-16-[[4-(carbamoylamino)phenyl]methyl]-7-[(1R)-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 weight1176.85
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP3.1
SynonymsBDBM50243526
(2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-{[(1S)-1-carbamoyl-2-cyclohexylethyl]carbamoyl}-16-{[4-(carbamoylamino)phenyl]methyl}-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloi
Inchi KeyAKICOXAXTFVPHX-JSTKZNKXSA-N
Inchi IDInChI=1S/C55H74ClN13O10S2/c1-30(70)46-54(78)68-45(52(76)64-41(47(59)71)24-31-9-3-2-4-10-31)29-81-80-28-44(67-48(72)38(58)23-32-14-18-35(56)19-15-32)53(77)65-42(25-33-16-20-36(21-17-33)62-55(60)79)50(74)66-43(26-34-27-61-39-12-6-5-11-37(34)39)51(75)63-40(49(73)69-46)13-7-8-22-57/h5-6,11-12,14-21,27,30-31,38,40-46,61,70H,2-4,7-10,13,22-26,28-29,57-58H2,1H3,(H2,59,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)(H3,60,62,79)/t30-,38-,40+,41+,42+,43-,44-,45+,46+/m1/s1
PubChem CID44560875
ChEMBLCHEMBL451932
IUPHARN/A
BindingDB50243526
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
IC50255.0 nMPMID18543899BindingDB,ChEMBL

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