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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

NameCHEMBL3122125
Molecular formulaC82H126N22O27S2
IUPAC name2-[[(2S)-2-[[(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-19-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetic acid
Molecular weight1916.16
Hydrogen bond acceptor35
Hydrogen bond donor26
XlogP-14.6
SynonymsN/A
Inchi KeyBREFCUWAHKPTKC-WQUXFBBMSA-N
Inchi IDInChI=1S/C82H126N22O27S2/c1-5-6-14-53(90-63(110)36-87-71(120)45(2)89-64(111)38-101-24-26-102(39-66(114)115)28-30-104(41-68(118)119)31-29-103(27-25-101)40-67(116)117)73(122)91-54(16-9-11-22-83)74(123)95-58(34-62(85)109)78(127)97-60-43-132-133-44-61(80(129)100-69(46(3)106)81(130)96-59(42-105)72(121)88-37-65(112)113)98-82(131)70(47(4)107)99-75(124)55(17-10-12-23-84)92-77(126)57(33-49-35-86-52-15-8-7-13-51(49)52)94-76(125)56(93-79(60)128)32-48-18-20-50(108)21-19-48/h7-8,13,15,18-21,35,45-47,53-61,69-70,86,105-108H,5-6,9-12,14,16-17,22-34,36-44,83-84H2,1-4H3,(H2,85,109)(H,87,120)(H,88,121)(H,89,111)(H,90,110)(H,91,122)(H,92,126)(H,93,128)(H,94,125)(H,95,123)(H,96,130)(H,97,127)(H,98,131)(H,99,124)(H,100,129)(H,112,113)(H,114,115)(H,116,117)(H,118,119)/t45-,46+,47+,53-,54-,55-,56-,57+,58-,59-,60-,61-,69-,70-/m0/s1
PubChem CID76310862
ChEMBLCHEMBL3122125
IUPHARN/A
BindingDBN/A
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
IC50<1000.0 nMPMID24378707ChEMBL

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