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GPCR

NameSomatostatin receptor type 1
SpeciesHomo sapiens (Human)
GeneSSTR1
SynonymSRIF-2
SS-1-R
SS1-R
SS1R
SST1 receptor
DiseaseAlzheimer disease
Cushing's disease
Neuroendocrine cancer
Length391
Amino acid sequenceMFPNGTASSPSSSPSPSPGSCGEGGGSRGPGAGAADGMEEPGRNASQNGTLSEGQGSAILISFIYSVVCLVGLCGNSMVIYVILRYAKMKTATNIYILNLAIADELLMLSVPFLVTSTLLRHWPFGALLCRLVLSVDAVNMFTSIYCLTVLSVDRYVAVVHPIKAARYRRPTVAKVVNLGVWVLSLLVILPIVVFSRTAANSDGTVACNMLMPEPAQRWLVGFVLYTFLMGFLLPVGAICLCYVLIIAKMRMVALKAGWQQRKRSERKITLMVMMVVMVFVICWMPFYVVQLVNVFAEQDDATVSQLSVILGYANSCANPILYGFLSDNFKRSFQRILCLSWMDNAAEEPVDYYATALKSRAYSVEDFQPENLESGGVFRNGTCTSRITTL
UniProtP30872
Protein Data BankN/A
GPCR-HGmod modelP30872
3D structure modelThis predicted structure model is from GPCR-EXP P30872.
BioLiPN/A
Therapeutic Target DatabaseT16633
ChEMBLCHEMBL1917
IUPHAR355
DrugBankBE0000452

Ligand

NameBDBM84625
Molecular formulaC49H67N11O10
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight970.142
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP-0.5
SynonymsBIM 23051
Inchi KeyGVSJBZZGXKEBGH-KFMCEEOESA-N
Inchi IDInChI=1S/C49H67N11O10/c1-27(54-45(66)35(51)23-31-15-7-5-8-16-31)43(64)57-38(24-32-17-9-6-10-18-32)47(68)58-39(25-33-26-53-36-20-12-11-19-34(33)36)48(69)56-37(21-13-14-22-50)46(67)60-41(30(4)62)49(70)55-28(2)44(65)59-40(29(3)61)42(52)63/h5-12,15-20,26-30,35,37-41,53,61-62H,13-14,21-25,50-51H2,1-4H3,(H2,52,63)(H,54,66)(H,55,70)(H,56,69)(H,57,64)(H,58,68)(H,59,65)(H,60,67)/t27-,28-,29+,30?,35+,37-,38-,39+,40-,41-/m0/s1
PubChem CID57339790
ChEMBLN/A
IUPHARN/A
BindingDB84625
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
Ki1000.0 nMPMID8100350BindingDB

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