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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

NameCHEMBL1793960
Molecular formulaC66H78ClN11O10
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1220.87
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP6.6
SynonymsBDBM50369420
Inchi KeyBQQAFUIHJKWSBW-OJEZPLDQSA-N
Inchi IDInChI=1S/C66H78ClN11O10/c1-38(2)57(66(88)76-55(33-40-13-5-4-6-14-40)65(87)78-58(39(3)79)59(70)81)77-61(83)52(19-11-12-30-68)72-64(86)56(36-46-37-71-51-18-10-9-17-49(46)51)75-63(85)54(35-42-23-28-48(80)29-24-42)74-62(84)53(34-41-21-26-47(67)27-22-41)73-60(82)50(69)32-43-20-25-44-15-7-8-16-45(44)31-43/h4-10,13-18,20-29,31,37-39,50,52-58,71,79-80H,11-12,19,30,32-36,68-69H2,1-3H3,(H2,70,81)(H,72,86)(H,73,82)(H,74,84)(H,75,85)(H,76,88)(H,77,83)(H,78,87)/t39-,50+,52+,53+,54+,55+,56+,57+,58+/m1/s1
PubChem CID56664791
ChEMBLN/A
IUPHARN/A
BindingDB50369420
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
IC501000.0 nMPMID9544214BindingDB

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