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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

NameCHEMBL412183
Molecular formulaC55H68N12O12S2
IUPAC name(4R,7S,10R,13S,16R,19S,22R,25S)-13-(4-aminobutyl)-19-[(4-aminophenyl)methyl]-22-benzyl-25-(carbamoylamino)-10-[(1R)-1-hydroxyethyl]-7-[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Molecular weight1153.34
Hydrogen bond acceptor16
Hydrogen bond donor15
XlogP-0.2
SynonymsBDBM50136799
Inchi KeyAIPNJSQOAXBDQI-JVGQUYDLSA-N
Inchi IDInChI=1S/C55H68N12O12S2/c1-30(68)46-53(76)64-42(25-33-16-20-36(69)21-17-33)50(73)65-45(54(77)78)29-81-80-28-44(66-55(58)79)52(75)62-40(23-31-9-3-2-4-10-31)48(71)61-41(24-32-14-18-35(57)19-15-32)49(72)63-43(26-34-27-59-38-12-6-5-11-37(34)38)51(74)60-39(47(70)67-46)13-7-8-22-56/h2-6,9-12,14-21,27,30,39-46,59,68-69H,7-8,13,22-26,28-29,56-57H2,1H3,(H,60,74)(H,61,71)(H,62,75)(H,63,72)(H,64,76)(H,65,73)(H,67,70)(H,77,78)(H3,58,66,79)/t30-,39+,40-,41+,42+,43-,44-,45+,46-/m1/s1
PubChem CID44368355
ChEMBLN/A
IUPHARN/A
BindingDB50136799
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
IC50757.0 nMPMID14667214BindingDB

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