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GPCR

NameSomatostatin receptor type 2
SpeciesHomo sapiens (Human)
GeneSSTR2
Synonymsomatotropin release-inhibiting factor receptor
SRIF-1
SS-2-R
SS2-R
SS2R
[ Show all ]
DiseaseAcromegaly
Lung cancer
Neuroendocrine cancer
Length369
Amino acid sequenceMDMADEPLNGSHTWLSIPFDLNGSVVSTNTSNQTEPYYDLTSNAVLTFIYFVVCIIGLCGNTLVIYVILRYAKMKTITNIYILNLAIADELFMLGLPFLAMQVALVHWPFGKAICRVVMTVDGINQFTSIFCLTVMSIDRYLAVVHPIKSAKWRRPRTAKMITMAVWGVSLLVILPIMIYAGLRSNQWGRSSCTINWPGESGAWYTGFIIYTFILGFLVPLTIICLCYLFIIIKVKSSGIRVGSSKRKKSEKKVTRMVSIVVAVFIFCWLPFYIFNVSSVSMAISPTPALKGMFDFVVVLTYANSCANPILYAFLSDNFKKSFQNVLCLVKVSGTDDGERSDSKQDKSRLNETTETQRTLLNGDLQTSI
UniProtP30874
Protein Data BankN/A
GPCR-HGmod modelP30874
3D structure modelThis predicted structure model is from GPCR-EXP P30874.
BioLiPN/A
Therapeutic Target DatabaseT53024
ChEMBLCHEMBL1804
IUPHAR356
DrugBankBE0003528

Ligand

NameCHEMBL429000
Molecular formulaC58H70FN11O7S2
IUPAC name(4R,8S,11S,17S)-8-(4-aminobutyl)-17-[[2-amino-3-(3-fluorophenyl)propanoyl]amino]-N-(1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl)-6-tert-butyl-11-(1H-indol-3-ylmethyl)-7,10,13,16-tetraoxo-14-(pyridin-3-ylmethyl)-1,2-dithia-5,9,12,15-tetrazacyclooctadecane-4-carboxamide
Molecular weight1116.39
Hydrogen bond acceptor14
Hydrogen bond donor10
XlogP5.2
SynonymsBDBM50105465
(4R,8S,11S,17S)-8-(4-Amino-butyl)-17-(2-amino-3-naphthyl-propionylamino)-6-tert-butyl-11-(1H-indol-3-ylmethyl)-7,10,13,16-tetraoxo-14-pyridin-3-ylmethyl-1,2-dithia-5,9,12,15-tetraaza-cyclooctadecane-4-carboxylic acid (1-carbamoyl-2-(m-fluoro-phenyl)-ethyl
Inchi KeyAYTGIPIZQAAKOB-BGRKUYOQSA-N
Inchi IDInChI=1S/C58H70FN11O7S2/c1-58(2,3)51-50(71)44(22-8-9-23-60)66-55(75)47(29-38-31-64-43-21-7-6-20-41(38)43)69-54(74)46(27-35-14-12-24-63-30-35)68-57(77)49(70-53(73)42(61)26-34-13-10-18-39(59)25-34)33-79-78-32-48(65-51)56(76)67-45(52(62)72)28-37-17-11-16-36-15-4-5-19-40(36)37/h4-7,10-21,24-25,30-31,42,44-49,51,64-65H,8-9,22-23,26-29,32-33,60-61H2,1-3H3,(H2,62,72)(H,66,75)(H,67,76)(H,68,77)(H,69,74)(H,70,73)/t42?,44-,45?,46?,47-,48-,49+,51?/m0/s1
PubChem CID44325452
ChEMBLCHEMBL429000
IUPHARN/A
BindingDB50105465
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC504.1 nMPMID11591512BindingDB,ChEMBL
IC50270.0 nMPMID11591512BindingDB,ChEMBL

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