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Ligand

NameCHEMBL331037
Molecular formulaC27H37N5O4S
IUPAC nameN-[4-[4-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexanoyl]piperazin-1-yl]phenyl]methanesulfonamide
Molecular weight527.684
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.4
SynonymsSCHEMBL6601544
BDBM50033429
L014159
1-[4-[4-[(Methylsulfonyl)amino]phenyl]piperazin-1-yl]-6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-hexanone
N-[4-(4-{6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-hexanoyl}-piperazin-1-yl)-phenyl]-methanesulfonamide
Inchi KeyAQUSECISJGGKTA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H37N5O4S/c1-37(34,35)30-22-6-8-23(9-7-22)31-14-16-32(17-15-31)27(33)5-3-2-4-18-36-24-10-11-26-25(19-24)21(12-13-28)20-29-26/h6-11,19-20,29-30H,2-5,12-18,28H2,1H3
PubChem CID10324625
ChEMBLCHEMBL331037
IUPHARN/A
BindingDB50033429
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
121205-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
121215-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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