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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

NameBDBM84640
Molecular formulaC71H80ClN11O9
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-naphthalen-2-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-(4-chlorophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1266.94
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP8.8
SynonymsBIM 23063
Inchi KeyDOZRZUSLIGCWGE-GPZIJSMRSA-N
Inchi IDInChI=1S/C71H80ClN11O9/c1-43(2)63(71(92)82-61(37-45-17-7-4-8-18-45)67(88)78-58(64(75)85)40-48-24-29-49-19-9-10-20-50(49)35-48)83-66(87)57(23-13-14-34-73)77-70(91)62(41-51-42-76-56-22-12-11-21-54(51)56)81-69(90)60(39-47-27-32-53(84)33-28-47)80-68(89)59(38-46-25-30-52(72)31-26-46)79-65(86)55(74)36-44-15-5-3-6-16-44/h3-12,15-22,24-33,35,42-43,55,57-63,76,84H,13-14,23,34,36-41,73-74H2,1-2H3,(H2,75,85)(H,77,91)(H,78,88)(H,79,86)(H,80,89)(H,81,90)(H,82,92)(H,83,87)/t55-,57+,58+,59+,60+,61+,62-,63+/m1/s1
PubChem CID91867459
ChEMBLN/A
IUPHARN/A
BindingDB84640
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
Ki1000.0 nMPMID8100350BindingDB

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