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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

NameCHEMBL3349599
Molecular formulaC56H62N8O8
IUPAC name(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3,15-dibenzyl-20-hydroxy-12-(1H-indol-3-ylmethyl)-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Molecular weight975.16
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP5.5
SynonymsN/A
Inchi KeyBMFKYASADOKZMA-FPHBMCSYSA-N
Inchi IDInChI=1S/C56H62N8O8/c57-27-13-12-22-45-51(66)60-46(29-38-23-25-42(26-24-38)72-35-39-18-8-3-9-19-39)53(68)63-49(30-37-16-6-2-7-17-37)56(71)64-34-41(65)32-50(64)55(70)62-47(28-36-14-4-1-5-15-36)52(67)61-48(54(69)59-45)31-40-33-58-44-21-11-10-20-43(40)44/h1-11,14-21,23-26,33,41,45-50,58,65H,12-13,22,27-32,34-35,57H2,(H,59,69)(H,60,66)(H,61,67)(H,62,70)(H,63,68)/t41-,45+,46+,47+,48-,49+,50+/m1/s1
PubChem CID11136828
ChEMBLCHEMBL3349599
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki63.1 nMPMID12773038ChEMBL

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