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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

NameCHEMBL437448
Molecular formulaC54H66Br2N12O8S2
IUPAC name(4S,7R,10S,13R,16S,19R)-N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-19-[[(2S)-2-amino-3-(4-bromophenyl)propanoyl]amino]-10-(4-aminobutyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1235.13
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogP4.1
SynonymsBDBM50077294
H-Bpa-cyclo[DCys-Pal-DTrp-Lys-Val-Cys]-Bpa-NH2
Inchi KeyBVMHYIWJEQRHNC-HGYOODBQSA-N
Inchi IDInChI=1S/C54H66Br2N12O8S2/c1-30(2)46-54(76)67-45(52(74)63-41(47(59)69)23-32-14-18-36(56)19-15-32)29-78-77-28-44(66-48(70)38(58)22-31-12-16-35(55)17-13-31)53(75)64-42(24-33-8-7-21-60-26-33)50(72)65-43(25-34-27-61-39-10-4-3-9-37(34)39)51(73)62-40(49(71)68-46)11-5-6-20-57/h3-4,7-10,12-19,21,26-27,30,38,40-46,61H,5-6,11,20,22-25,28-29,57-58H2,1-2H3,(H2,59,69)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,76)(H,68,71)/t38-,40-,41-,42-,43+,44-,45+,46+/m0/s1
PubChem CID44298250
ChEMBLCHEMBL437448
IUPHARN/A
BindingDB50077294
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
Ki374.0 nMPMID10354394ChEMBL
Ki374.0 nMPMID10354394BindingDB

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