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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

NameCHEMBL3350894
Molecular formulaC63H76N12O12S2
IUPAC name(4R,7S,10S,13S,16S,19S,22S,25R)-13-(4-aminobutyl)-25-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-19-[(4-aminophenyl)methyl]-7,22-dibenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Molecular weight1257.49
Hydrogen bond acceptor17
Hydrogen bond donor15
XlogP1.4
SynonymsN/A
Inchi KeyCGKCQZCBEXFSFW-UGSZBLCHSA-N
Inchi IDInChI=1S/C63H76N12O12S2/c1-36(76)54-62(85)72-50(30-38-14-6-3-7-15-38)59(82)74-53(63(86)87)35-89-88-34-52(73-55(78)45(66)28-39-21-25-43(77)26-22-39)61(84)70-48(29-37-12-4-2-5-13-37)57(80)69-49(31-40-19-23-42(65)24-20-40)58(81)71-51(32-41-33-67-46-17-9-8-16-44(41)46)60(83)68-47(56(79)75-54)18-10-11-27-64/h2-9,12-17,19-26,33,36,45,47-54,67,76-77H,10-11,18,27-32,34-35,64-66H2,1H3,(H,68,83)(H,69,80)(H,70,84)(H,71,81)(H,72,85)(H,73,78)(H,74,82)(H,75,79)(H,86,87)/t36-,45+,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1
PubChem CID16152257
ChEMBLCHEMBL3350894
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
IC50270.0 nMPMID14667214ChEMBL

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