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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

NameCHEMBL253232
Molecular formulaC25H29N5O
IUPAC name[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
Molecular weight415.541
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50423460
Inchi KeyFWLWAUDKOMJKDK-SYYKKAFVSA-N
Inchi IDInChI=1S/C25H29N5O/c1-28-16-18(25(31)30-11-9-29(10-12-30)23-7-2-3-8-26-23)13-20-19-5-4-6-21-24(19)17(15-27-21)14-22(20)28/h2-8,15,18,20,22,27H,9-14,16H2,1H3/t18-,20-,22-/m1/s1
PubChem CID44447006
ChEMBLCHEMBL253232
IUPHARN/A
BindingDB50423460
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Kd14.0 nMPMID18162395BindingDB
Kd14.13 nMPMID18162395ChEMBL

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