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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameAC1NV8AN
Molecular formulaC26H23N4O2+
IUPAC nameN,N-dimethyl-4-[(Z)-(1-methyl-6-nitro-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline
Molecular weight423.496
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.8
SynonymsN,N-dimethyl-4-[(Z)-(1-methyl-6-nitro-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline
Inchi KeyGYHTULPWVMYQCQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H23N4O2/c1-27(2)20-11-9-18(10-12-20)15-22-23-16-21(30(31)32)13-14-24(23)29-26(22)17-25(28(29)3)19-7-5-4-6-8-19/h4-17H,1-3H3/q+1
PubChem CID5472652
ChEMBLN/A
IUPHARN/A
BindingDB50332191
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
108294C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374

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