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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

NameBDBM82466
Molecular formulaC55H68ClN9O8
IUPAC name(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,15-dibenzyl-18-[(4-chlorophenyl)methyl]-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19-heptazacyclohexacosane-2,5,8,11,14,17,20-heptone
Molecular weight1018.65
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP6.2
Synonymsc[Aha-Phe-p-C1-Phe-D-Trp-Lys-Thr-Phe]
L-362,862
L-362862
Inchi KeyDFYIJRIFNXQXAY-FHTVTOFSSA-N
Inchi IDInChI=1S/C55H68ClN9O8/c1-35(66)49-55(73)64-44(30-36-16-6-4-7-17-36)50(68)58-29-15-3-2-10-23-48(67)60-45(32-38-24-26-40(56)27-25-38)52(70)62-46(31-37-18-8-5-9-19-37)53(71)63-47(33-39-34-59-42-21-12-11-20-41(39)42)54(72)61-43(51(69)65-49)22-13-14-28-57/h4-9,11-12,16-21,24-27,34-35,43-47,49,59,66H,2-3,10,13-15,22-23,28-33,57H2,1H3,(H,58,68)(H,60,67)(H,61,72)(H,62,70)(H,63,71)(H,64,73)(H,65,69)/t35-,43+,44+,45+,46+,47-,49+/m1/s1
PubChem CID57339672
ChEMBLN/A
IUPHARN/A
BindingDB82466
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
Ki575.43 nMPMID7870182BindingDB
Ki580.0 nMPMID8100350BindingDB

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