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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

NameCHEMBL3350882
Molecular formulaC58H72N12O13S2
IUPAC name(4R,7S,10S,13S,16S,19S,22S,25R)-13-(4-aminobutyl)-7,22-dibenzyl-25-[[(2S)-2-(carbamoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Molecular weight1209.41
Hydrogen bond acceptor16
Hydrogen bond donor15
XlogP0.2
SynonymsN/A
Inchi KeyAUSJXPHBBAYKTR-HFEZEVQOSA-N
Inchi IDInChI=1S/C58H72N12O13S2/c1-32-49(73)64-45(28-37-29-61-40-18-10-9-17-39(37)40)54(78)63-41(19-11-12-24-59)50(74)70-48(33(2)71)56(80)66-43(26-35-15-7-4-8-16-35)52(76)68-47(57(81)82)31-85-84-30-46(55(79)65-42(51(75)62-32)25-34-13-5-3-6-14-34)67-53(77)44(69-58(60)83)27-36-20-22-38(72)23-21-36/h3-10,13-18,20-23,29,32-33,41-48,61,71-72H,11-12,19,24-28,30-31,59H2,1-2H3,(H,62,75)(H,63,78)(H,64,73)(H,65,79)(H,66,80)(H,67,77)(H,68,76)(H,70,74)(H,81,82)(H3,60,69,83)/t32-,33+,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
PubChem CID16153418
ChEMBLCHEMBL3350882
IUPHARN/A
BindingDBN/A
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 nMPMID14667214ChEMBL

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