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GPCR

NameSomatostatin receptor type 1
SpeciesRattus norvegicus (Rat)
GeneSstr1
SynonymSRIF-2
SS-1-R
SS1-R
SS1R
SST1 receptor
DiseaseN/A for non-human GPCRs
Length391
Amino acid sequenceMFPNGTAPSPTSSPSSSPGGCGEGVCSRGPGSGAADGMEEPGRNSSQNGTLSEGQGSAILISFIYSVVCLVGLCGNSMVIYVILRYAKMKTATNIYILNLAIADELLMLSVPFLVTSTLLRHWPFGALLCRLVLSVDAVNMFTSIYCLTVLSVDRYVAVVHPIKAARYRRPTVAKVVNLGVWVLSLLVILPIVVFSRTAANSDGTVACNMLMPEPAQRWLVGFVLYTFLMGFLLPVGAICLCYVLIIAKMRMVALKAGWQQRKRSERKITLMVMMVVMVFVICWMPFYVVQLVNVFAEQDDATVSQLSVILGYANSCANPILYGFLSDNFKRSFQRILCLSWMDNAAEEPVDYYATALKSRAYSVEDFQPENLESGGVFRNGTCASRISTL
UniProtP28646
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4652
IUPHAR355
DrugBankN/A

Ligand

NameCHEMBL399843
Molecular formulaC26H29F3N4O6S
IUPAC name[(3R,4aR,10aR)-1-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl] trifluoromethanesulfonate
Molecular weight582.595
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50423309
Inchi KeyABHDMVMRRKFFON-DNVFCKCGSA-N
Inchi IDInChI=1S/C26H29F3N4O6S/c1-30-16-19(25(34)32-11-9-31(10-12-32)20-5-7-21(8-6-20)33(35)36)13-18-14-22-17(15-23(18)30)3-2-4-24(22)39-40(37,38)26(27,28)29/h2-8,18-19,23H,9-16H2,1H3/t18-,19-,23-/m1/s1
PubChem CID44441666
ChEMBLCHEMBL399843
IUPHARN/A
BindingDB50423309
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Kd1.549 nMPMID17507221ChEMBL
Kd1.6 nMPMID17507221BindingDB

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