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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

NameBDBM84629
Molecular formulaC71H81N11O9
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1232.5
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP8.1
SynonymsN/A
Inchi KeyAWRMNKFDOAUSCG-OOSWLFMASA-N
Inchi IDInChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-23-10-5-11-24-47)67(87)77-58(64(74)84)41-50-27-18-26-49-25-12-13-28-53(49)50)82-66(86)57(31-16-17-36-72)76-70(90)62(42-51-43-75-56-30-15-14-29-54(51)56)80-69(89)60(40-48-32-34-52(83)35-33-48)79-68(88)59(38-46-21-8-4-9-22-46)78-65(85)55(73)37-45-19-6-3-7-20-45/h3-15,18-30,32-35,43-44,55,57-63,75,83H,16-17,31,36-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
PubChem CID91898903
ChEMBLN/A
IUPHARN/A
BindingDB84629
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
Ki100.0 nMPMID8769372BindingDB
Ki142.0 nMPMID7988476BindingDB
Ki245.47 nMPMID10598788, PMID9650799BindingDB
Ki275.42 nMPMID10598788BindingDB
Ki346.73 nMPMID10598788BindingDB
Ki346.74 nMPMID9650799BindingDB
Ki692.0 nMPMID9600011BindingDB
Ki1000.0 nMPMID8100350BindingDB

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