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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

NameCHEMBL264562
Molecular formulaC61H74ClN11O9
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1140.78
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP5.1
SynonymsBIM 23064
BDBM84643
Inchi KeyXTEGECZSHMPPOM-NAKKXXTRSA-N
Inchi IDInChI=1S/C61H74ClN11O9/c1-36(2)53(61(82)72-49(31-39-16-8-5-9-17-39)57(78)67-37(3)54(65)75)73-56(77)48(20-12-13-29-63)68-60(81)52(34-42-35-66-47-19-11-10-18-45(42)47)71-59(80)51(33-41-23-27-44(74)28-24-41)70-58(79)50(32-40-21-25-43(62)26-22-40)69-55(76)46(64)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-53,66,74H,12-13,20,29-34,63-64H2,1-3H3,(H2,65,75)(H,67,78)(H,68,81)(H,69,76)(H,70,79)(H,71,80)(H,72,82)(H,73,77)/t37-,46-,48+,49+,50+,51+,52-,53+/m1/s1
PubChem CID10351281
ChEMBLN/A
IUPHARN/A
BindingDB84643
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1000.0 nMPMID8100350BindingDB

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