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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

NameCHEMBL538948
Molecular formulaC61H72IN11O10S2
IUPAC name(4R,7S,10S,13R,16S,19R)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-7-[(4-hydroxy-3-(125I)iodanylphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-10-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1308.34
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP4.5
SynonymsN/A
Inchi KeyCCIBPTVMFATULO-VSRKPHPHSA-N
Inchi IDInChI=1S/C61H72IN11O10S2/c1-34(2)65-30-39-20-18-38(19-21-39)27-47-56(78)68-48(28-40-22-23-52(75)43(62)24-40)58(80)72-51(61(83)73-53(35(3)74)54(64)76)33-85-84-32-50(71-55(77)44(63)25-36-12-6-4-7-13-36)60(82)69-46(26-37-14-8-5-9-15-37)57(79)70-49(59(81)67-47)29-41-31-66-45-17-11-10-16-42(41)45/h4-24,31,34-35,44,46-51,53,65-66,74-75H,25-30,32-33,63H2,1-3H3,(H2,64,76)(H,67,81)(H,68,78)(H,69,82)(H,70,79)(H,71,77)(H,72,80)(H,73,83)/t35-,44-,46+,47+,48+,49-,50+,51+,53+/m1/s1/i62-2
PubChem CID45272265
ChEMBLCHEMBL538948
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
IC50449.0 nMPMID19351180ChEMBL

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