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Ligand

NameCHEMBL1173578
Molecular formulaC21H16ClN5O2S2
IUPAC nameN-benzyl-10-(3-chlorophenyl)sulfonyl-N-methyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
Molecular weight469.962
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.6
SynonymsAKOS021639181
BDBM50322159
E565-0912
HMS1865H02
MCULE-6554002395
[ Show all ]
Inchi KeyAFEOLFPUJYURJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H16ClN5O2S2/c1-26(13-14-6-3-2-4-7-14)19-18-17(10-11-30-18)27-20(23-19)21(24-25-27)31(28,29)16-9-5-8-15(22)12-16/h2-12H,13H2,1H3
PubChem CID16019292
ChEMBLCHEMBL1173578
IUPHARN/A
BindingDB50322159
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
40995-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
40955-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
40965-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
40985-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
40945-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
41005-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
40935-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
40975-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
463383Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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