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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

NameCHEMBL267054
Molecular formulaC51H70N10O10
IUPAC name(2S,5R,8S,11S,14S,19S)-8-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-11-[(1R)-1-hydroxyethyl]-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicosane-14-carboxamide
Molecular weight983.181
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP1.7
Synonyms(1S,6S,9S,12R,15S,18S)-1-[[(1R,2R)-1-(Hydroxymethyl)-2-hydroxypropyl]carbamoyl]-6-[[(2R)-2-amino-3-phenylpropionyl]amino]-9-benzyl-12-[(1H-indole-3-yl)methyl]-15-(4-aminobutyl)-18-[(1R)-1-hydroxyethyl]-8,11,14,17,20-pentaazacycloicosane-7,10,13,16,19-pent
(2S,5R,8S,11S,14S,19S)-19-[(2R)-2-amino-3-phenylpropanamido]-8-(4-aminobutyl)-2-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-11-[(1R)-1-hydroxyethyl]-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicosane-14-carboxamide
BDBM50232818
Inchi KeyCEZMHJBDTNBHJJ-BFEZXMBISA-N
Inchi IDInChI=1S/C51H70N10O10/c1-30(63)43(29-62)60-47(67)39-22-12-11-21-38(55-45(65)36(53)25-32-15-5-3-6-16-32)46(66)58-41(26-33-17-7-4-8-18-33)49(69)59-42(27-34-28-54-37-20-10-9-19-35(34)37)50(70)56-40(23-13-14-24-52)48(68)61-44(31(2)64)51(71)57-39/h3-10,15-20,28,30-31,36,38-44,54,62-64H,11-14,21-27,29,52-53H2,1-2H3,(H,55,65)(H,56,70)(H,57,71)(H,58,66)(H,59,69)(H,60,67)(H,61,68)/t30-,31-,36-,38+,39+,40+,41+,42-,43-,44+/m1/s1
PubChem CID11535351
ChEMBLCHEMBL267054
IUPHARN/A
BindingDB50232818
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
IC50<1000.0 nMPMID18210999BindingDB,ChEMBL

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