KEGG   DRUG: Lenabasum
Entry
D11312                      Drug                                   

Name
Lenabasum (USAN/INN);
Ajulemic acid
Formula
C25H36O4
Exact mass
400.2614
Mol weight
400.5509
Structure
Simcomp
Efficacy
Antifibrotic, Anti-inflammatory,
Comment
Treatment of systemic sclerosis, dermatomyositis or cystic fibrosis
Target
CNR2 [HSA:1269] [KO:K04278]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cannabinoid
    CNR2
     D11312  Lenabasum (USAN/INN)
Other DBs
CAS: 137945-48-3
PubChem: 384585290
ChEMBL: CHEMBL320408 CHEMBL456341
PDB-CCD: AJA[PDBj]
LinkDB
KCF data

ATOM        29
            1   C2x C    11.3400   -6.3000
            2   C1x C    11.3400   -7.7000
            3   C1y C    12.5524   -8.4000
            4   C1y C    13.7649   -7.7000
            5   C1x C    13.7649   -6.3000
            6   C2y C    12.5524   -5.6000
            7   C1z C    12.5524   -9.8000
            8   O2x O    13.7649  -10.5000
            9   C8y C    14.9773   -9.8000
            10  C8y C    14.9773   -8.4000
            11  C8x C    16.1897  -10.5000
            12  C8y C    17.4022   -9.8000
            13  C8x C    17.4022   -8.4000
            14  C8y C    16.1897   -7.7000
            15  O1a O    16.1897   -6.3001
            16  C6a C    12.5524   -4.2002
            17  O6a O    11.3232   -3.4903
            18  O6a O    13.7480   -3.5098
            19  C1a C    12.5524  -11.2000
            20  C1a C    11.3400  -10.5000
            21  C1d C    18.6353  -10.5122
            22  C1b C    19.8415   -9.8160
            23  C1b C    21.0233  -10.4985
            24  C1b C    22.2176   -9.8090
            25  C1b C    23.4053  -10.4949
            26  C1b C    24.5966   -9.8072
            27  C1a C    25.7859  -10.4940
            28  C1a C    17.6453  -11.5022
            29  C1a C    19.6252  -11.5022
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    4  10 1
            12    9  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   10  14 2
            17   14  15 1
            18    6  16 1
            19   16  17 2
            20   16  18 1
            21    7  19 1
            22    7  20 1
            23   12  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   21  28 1
            31   21  29 1

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