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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

NameCHEMBL216992
Molecular formulaC60H78N12O11S2
IUPAC name(4R,7S,10R,13S,16S,19S,22R,25R,28S)-28-amino-13,25-bis(4-aminobutyl)-7,19,22-tribenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carboxylic acid
Molecular weight1207.48
Hydrogen bond acceptor16
Hydrogen bond donor14
XlogP0.6
SynonymsBDBM50159451
D04ORV
Des-AA1,2,5,12,13-[D-Trp8]SRIF
Inchi KeyANCUAJMQRRZZNC-JFMJRBFYSA-N
Inchi IDInChI=1S/C60H78N12O11S2/c1-36(73)51-59(81)70-48(31-39-21-9-4-10-22-39)57(79)71-50(60(82)83)35-85-84-34-42(63)52(74)65-44(25-13-15-27-61)53(75)67-46(29-37-17-5-2-6-18-37)55(77)68-47(30-38-19-7-3-8-20-38)56(78)69-49(32-40-33-64-43-24-12-11-23-41(40)43)58(80)66-45(54(76)72-51)26-14-16-28-62/h2-12,17-24,33,36,42,44-51,64,73H,13-16,25-32,34-35,61-63H2,1H3,(H,65,74)(H,66,80)(H,67,75)(H,68,77)(H,69,78)(H,70,81)(H,71,79)(H,72,76)(H,82,83)/t36-,42-,44-,45+,46-,47+,48+,49+,50+,51-/m1/s1
PubChem CID44388047
ChEMBLCHEMBL216992
IUPHARN/A
BindingDB50159451
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
IC505.3 nMPMID15658865BindingDB,ChEMBL

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