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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

NameBDBM84617
Molecular formulaC60H74ClN11O8
IUPAC name(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
Molecular weight1112.77
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP6.5
SynonymsBIM 23053
CAS_150155-59-2
L-Alaninamide,D-phenylalanyl-L-alanyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-alanyl-3-(2-naphthalenyl)-(9CI)
Inchi KeyKOTAQQGUEIPDDL-QFVYDIALSA-N
Inchi IDInChI=1S/C60H74ClN11O8/c1-5-46(67-55(75)45(63)30-38-23-26-43(61)27-24-38)56(76)70-50(31-37-15-7-6-8-16-37)58(78)71-51(33-42-34-65-47-20-12-11-19-44(42)47)59(79)68-48(21-13-14-28-62)57(77)72-52(35(2)3)60(80)66-36(4)54(74)69-49(53(64)73)32-39-22-25-40-17-9-10-18-41(40)29-39/h6-12,15-20,22-27,29,34-36,45-46,48-52,65H,5,13-14,21,28,30-33,62-63H2,1-4H3,(H2,64,73)(H,66,80)(H,67,75)(H,68,79)(H,69,74)(H,70,76)(H,71,78)(H,72,77)/t36-,45+,46-,48-,49-,50-,51+,52-/m0/s1
PubChem CID57339783
ChEMBLN/A
IUPHARN/A
BindingDB84617
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
Ki1000.0 nMPMID8100350, PMID7988476BindingDB

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