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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

NameCHEMBL406260
Molecular formulaC58H70N12O8S2
IUPAC name(4R,7S,10R,13S,16R,19S)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2S)-2-amino-3-phenylpropanoyl]amino]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1127.39
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogP4.0
SynonymsH-Phe-cyclo[DCys-Pal-DTrp-Lys-Val-Cys]-Nal-NH2
BDBM50063829
Inchi KeyAXVKTGVAIQSFOE-LOHZWWSOSA-N
Inchi IDInChI=1S/C58H70N12O8S2/c1-34(2)50-58(78)69-49(56(76)65-45(51(61)71)27-36-21-22-38-16-6-7-17-39(38)25-36)33-80-79-32-48(68-52(72)42(60)26-35-13-4-3-5-14-35)57(77)66-46(28-37-15-12-24-62-30-37)54(74)67-47(29-40-31-63-43-19-9-8-18-41(40)43)55(75)64-44(53(73)70-50)20-10-11-23-59/h3-9,12-19,21-22,24-25,30-31,34,42,44-50,63H,10-11,20,23,26-29,32-33,59-60H2,1-2H3,(H2,61,71)(H,64,75)(H,65,76)(H,66,77)(H,67,74)(H,68,72)(H,69,78)(H,70,73)/t42-,44+,45-,46+,47-,48+,49-,50-/m0/s1
PubChem CID44270291
ChEMBLN/A
IUPHARN/A
BindingDB50063829
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
IC50535.0 nMPMID9544214BindingDB

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