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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

NameBDBM84630
Molecular formulaC56H66N10O9S2
IUPAC name10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-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 weight1087.32
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP4.2
SynonymsBIM 23060
Inchi KeyWVMBVVRMFHGKTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
PubChem CID57339795
ChEMBLN/A
IUPHARN/A
BindingDB84630
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
Ki61.0 nMPMID7988476BindingDB
Ki1000.0 nMPMID8100350BindingDB

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