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GPCR

NameSomatostatin receptor type 5
SpeciesHomo sapiens (Human)
GeneSSTR5
SynonymSOMATO
SS-5-R
SS5-R
SS5R
SST5 receptor
DiseaseN/A
Length364
Amino acid sequenceMEPLFPASTPSWNASSPGAASGGGDNRTLVGPAPSAGARAVLVPVLYLLVCAAGLGGNTLVIYVVLRFAKMKTVTNIYILNLAVADVLYMLGLPFLATQNAASFWPFGPVLCRLVMTLDGVNQFTSVFCLTVMSVDRYLAVVHPLSSARWRRPRVAKLASAAAWVLSLCMSLPLLVFADVQEGGTCNASWPEPVGLWGAVFIIYTAVLGFFAPLLVICLCYLLIVVKVRAAGVRVGCVRRRSERKVTRMVLVVVLVFAGCWLPFFTVNIVNLAVALPQEPASAGLYFFVVILSYANSCANPVLYGFLSDNFRQSFQKVLCLRKGSGAKDADATEPRPDRIRQQQEATPPAHRAAANGLMQTSKL
UniProtP35346
Protein Data BankN/A
GPCR-HGmod modelP35346
3D structure modelThis predicted structure model is from GPCR-EXP P35346.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1792
IUPHAR359
DrugBankBE0002147

Ligand

NameCHEMBL3974262
Molecular formulaC78H100N16O10S
IUPAC name2-[[(6aS,9S,10aS)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]-N-[(3R,9R,12S,15R,18R,21R,24S)-9-(4-aminobutyl)-3,15,18-tribenzyl-21-[3-(diaminomethylideneamino)propyl]-6-[(1S)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclooctacos-24-yl]acetamide
Molecular weight1453.82
Hydrogen bond acceptor14
Hydrogen bond donor15
XlogP6.1
SynonymsN/A
Inchi KeyBBOLFHOXGYMYNL-MLCWKUOLSA-N
Inchi IDInChI=1S/C78H100N16O10S/c1-47(95)69-77(104)92-62(37-48-20-6-3-7-21-48)70(97)82-34-17-15-30-59(86-67(96)46-105-45-51-36-56-55-27-18-31-58-68(55)53(43-85-58)41-66(56)94(2)44-51)71(98)87-61(32-19-35-83-78(80)81)72(99)89-63(38-49-22-8-4-9-23-49)74(101)90-64(39-50-24-10-5-11-25-50)75(102)91-65(40-52-42-84-57-28-13-12-26-54(52)57)76(103)88-60(73(100)93-69)29-14-16-33-79/h3-13,18,20-28,31,42-43,47,51,56,59-66,69,84-85,95H,14-17,19,29-30,32-41,44-46,79H2,1-2H3,(H,82,97)(H,86,96)(H,87,98)(H,88,103)(H,89,99)(H,90,101)(H,91,102)(H,92,104)(H,93,100)(H4,80,81,83)/t47-,51-,56-,59-,60+,61+,62+,63+,64+,65-,66-,69?/m0/s1
PubChem CID134154034
ChEMBLCHEMBL3974262
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1.38 nMNoneChEMBL

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