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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

NameBDBM84627
Molecular formulaC56H72ClN11O9
IUPAC name(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
Molecular weight1078.71
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP4.2
SynonymsBIM 23067
Inchi KeyXLLZAHLNQUVXQX-KVXBSRAJSA-N
Inchi IDInChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
PubChem CID57339792
ChEMBLN/A
IUPHARN/A
BindingDB84627
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.

Experimental Data

ParameterValueReferenceDatabase source
Ki1000.0 nMPMID8100350, PMID7988476BindingDB

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