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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

NameCHEMBL447177
Molecular formulaC58H72ClN15O13S2
IUPAC name2-[[(2R)-2-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-16-[[4-(carbamoylamino)phenyl]methyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-[4-(carbamoylamino)phenyl]propanoyl]amino]acetic acid
Molecular weight1286.88
Hydrogen bond acceptor17
Hydrogen bond donor17
XlogP-1.7
SynonymsBDBM50243570
2-[(2R)-2-{[(4R,7S,10S,13R,16S,19S)-19-[(2R)-2-amino-3-(4-chlorophenyl)propanamido]-10-(4-aminobutyl)-16-{[4-(carbamoylamino)phenyl]methyl}-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-
Inchi KeyAYMGLXRMUVDDGT-OUPMBCEASA-N
Inchi IDInChI=1S/C58H72ClN15O13S2/c1-30(75)48-56(85)73-46(55(84)69-42(50(79)65-27-47(76)77)23-32-11-17-36(18-12-32)66-57(62)86)29-89-88-28-45(72-49(78)39(61)22-31-9-15-35(59)16-10-31)54(83)70-43(24-33-13-19-37(20-14-33)67-58(63)87)52(81)71-44(25-34-26-64-40-7-3-2-6-38(34)40)53(82)68-41(51(80)74-48)8-4-5-21-60/h2-3,6-7,9-20,26,30,39,41-46,48,64,75H,4-5,8,21-25,27-29,60-61H2,1H3,(H,65,79)(H,68,82)(H,69,84)(H,70,83)(H,71,81)(H,72,78)(H,73,85)(H,74,80)(H,76,77)(H3,62,66,86)(H3,63,67,87)/t30-,39-,41+,42-,43+,44-,45-,46+,48+/m1/s1
PubChem CID44560898
ChEMBLCHEMBL447177
IUPHARN/A
BindingDB50243570
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 nMPMID18543899BindingDB,ChEMBL

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