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Ligand

NameAC1LVDP6
Molecular formulaC25H18N2O7S
IUPAC name4-[[3-(2-methoxycarbonylanilino)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid
Molecular weight490.486
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.5
SynonymsZINC100919202
4-[[3-(2-methoxycarbonylanilino)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid
MCULE-3757099994
Inchi KeyAEAJAFKVDVPSKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H18N2O7S/c1-34-25(31)19-8-4-5-9-20(19)26-22-14-21(17-6-2-3-7-18(17)23(22)28)27-35(32,33)16-12-10-15(11-13-16)24(29)30/h2-14,26H,1H3,(H,29,30)
PubChem CID1652968
ChEMBLN/A
IUPHARN/A
BindingDB48029
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
3275C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374

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