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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

NameCHEMBL508585
Molecular formulaC70H92N16O20S2
IUPAC name2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-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-pentazacycloicos-19-yl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1541.72
Hydrogen bond acceptor27
Hydrogen bond donor17
XlogP-6.0
SynonymsBDBM50243510
Inchi KeyCHHIPNJJEBORFF-RAXMXZHQSA-N
Inchi IDInChI=1S/C70H92N16O20S2/c1-41(87)62-70(104)80-57(68(102)76-52(63(72)97)30-43-11-17-47(88)18-12-43)40-108-107-39-56(69(103)77-54(32-44-13-19-48(89)20-14-44)66(100)78-55(33-45-34-73-50-7-3-2-6-49(45)50)67(101)75-51(64(98)81-62)8-4-5-21-71)79-65(99)53(31-42-9-15-46(16-10-42)86(105)106)74-58(90)35-82-22-24-83(36-59(91)92)26-28-85(38-61(95)96)29-27-84(25-23-82)37-60(93)94/h2-3,6-7,9-20,34,41,51-57,62,73,87-89H,4-5,8,21-33,35-40,71H2,1H3,(H2,72,97)(H,74,90)(H,75,101)(H,76,102)(H,77,103)(H,78,100)(H,79,99)(H,80,104)(H,81,98)(H,91,92)(H,93,94)(H,95,96)/t41-,51+,52-,53-,54+,55-,56-,57+,62+/m1/s1
PubChem CID44560859
ChEMBLCHEMBL508585
IUPHARN/A
BindingDB50243510
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 nMPMID18543899BindingDB,ChEMBL

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