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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

NameBDBM84628
Molecular formulaC56H66N10O8S2
IUPAC name10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1071.33
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP4.6
SynonymsN/A
Inchi KeyHJZLQFFUZPMRPX-UHFFFAOYSA-N
Inchi IDInChI=1S/C56H66N10O8S2/c1-34(67)49-56(74)65-47(51(69)60-30-38-21-14-20-37-19-8-9-22-40(37)38)32-75-76-33-48(64-50(68)42(58)27-35-15-4-2-5-16-35)55(73)62-45(28-36-17-6-3-7-18-36)53(71)63-46(29-39-31-59-43-24-11-10-23-41(39)43)54(72)61-44(52(70)66-49)25-12-13-26-57/h2-11,14-24,31,34,42,44-49,59,67H,12-13,25-30,32-33,57-58H2,1H3,(H,60,69)(H,61,72)(H,62,73)(H,63,71)(H,64,68)(H,65,74)(H,66,70)
PubChem CID57339793
ChEMBLN/A
IUPHARN/A
BindingDB84628
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
Ki382.0 nMPMID8100350BindingDB

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