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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

NameBDBM84638
Molecular formulaC58H71N11O10
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-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-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1082.27
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP3.4
SynonymsBIM 23070
Inchi KeyZROMZGCPGMXTNI-RXIRDAQOSA-N
Inchi IDInChI=1S/C58H71N11O10/c1-33(63-54(75)44(60)28-36-14-5-4-6-15-36)53(74)67-48(29-37-23-25-41(71)26-24-37)56(77)68-49(31-40-32-62-45-21-10-9-20-43(40)45)57(78)65-46(22-11-12-27-59)55(76)69-50(35(3)70)58(79)64-34(2)52(73)66-47(51(61)72)30-39-18-13-17-38-16-7-8-19-42(38)39/h4-10,13-21,23-26,32-35,44,46-50,62,70-71H,11-12,22,27-31,59-60H2,1-3H3,(H2,61,72)(H,63,75)(H,64,79)(H,65,78)(H,66,73)(H,67,74)(H,68,77)(H,69,76)/t33-,34-,35?,44+,46-,47-,48-,49+,50-/m0/s1
PubChem CID91898904
ChEMBLN/A
IUPHARN/A
BindingDB84638
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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