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Ligand

NameCHEMBL1076623
Molecular formulaC34H41F2N5O5S
IUPAC name[(4S,4aS,8aR)-2-[(2S)-3-(2,1,3-benzothiadiazol-5-yl)-2-methylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-4-yl]-[4-(3,4-difluorophenyl)piperazin-1-yl]methanone;(E)-but-2-enedioic acid
Molecular weight669.789
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyIZJQLAVGJBYCQR-BDQNSCOVSA-N
Inchi IDInChI=1S/C30H37F2N5OS.C4H4O4/c1-20(14-21-6-9-28-29(15-21)34-39-33-28)17-35-18-22-4-2-3-5-24(22)25(19-35)30(38)37-12-10-36(11-13-37)23-7-8-26(31)27(32)16-23;5-3(6)1-2-4(7)8/h6-9,15-16,20,22,24-25H,2-5,10-14,17-19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,22-,24-,25+;/m0./s1
PubChem CID46880585
ChEMBLCHEMBL1076623
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
145343Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
145345Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
145341Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
145344Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
145340Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
145342Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
145339Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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