KEGG   DRUG: Buloxibutid sodium
Entry
D13134                      Drug                                   
Name
Buloxibutid sodium (USAN)
Formula
C23H28N3O4S2. Na
Exact mass
497.1419
Mol weight
497.61
Structure
Remark
Chemical structure group: DG03353
Efficacy
Angiotensin II receptor agonist
Comment
Treatment of Idiopathic pulmonary fibrosis
Target
AGTR1 [HSA:185] [KO:K04166]
AGTR2 [HSA:186] [KO:K04167]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04614  Renin-angiotensin system
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Angiotensin
    AGTR1
     D13134  Buloxibutid sodium (USAN)
    AGTR2
     D13134  Buloxibutid sodium (USAN)
Other DBs
CAS: 2709031-33-2
PubChem: 513757671
LinkDB
KCF data

ATOM        33
            1   C8y C    17.8703  -17.0994
            2   C8x C    17.8703  -18.5010
            3   C8x C    19.0617  -19.2018
            4   C8y C    20.3231  -18.5010
            5   C8x C    20.3231  -17.0994
            6   C8x C    19.0617  -16.3986
            7   C1b C    21.5145  -19.2018
            8   N4y N    22.7058  -18.5010
            9   C8x C    24.0373  -18.9215
            10  C8x C    24.8082  -17.8002
            11  N5x N    24.0373  -16.6790
            12  C8x C    22.7058  -17.1695
            13  C8y C    16.6790  -16.3986
            14  C8y C    16.6790  -14.9270
            15  S2x S    15.2774  -14.5065
            16  C8y C    14.4364  -15.6278
            17  C8x C    15.2774  -16.8191
            18  C1b C    13.0348  -15.6278
            19  S4a S    17.8703  -14.2262
            20  N1b N    19.0617  -14.9270 #-
            21  C7a C    20.2530  -14.2262
            22  O7a O    21.4444  -14.9270
            23  O6a O    20.2530  -12.8246
            24  O3c O    16.8191  -13.2451
            25  O3c O    18.5711  -13.0348
            26  C1b C    22.7058  -14.2262
            27  C1b C    23.8972  -14.9270
            28  C1b C    25.0885  -14.2963
            29  C1a C    26.2799  -14.9971
            30  C1c C    12.3340  -14.4364
            31  C1a C    10.9324  -14.4364
            32  C1a C    13.0348  -13.2451
            33  Z   Na   22.4700  -12.8800 #+
BOND        34
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    8  12 1
            14    1  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   13  17 1
            20   16  18 1
            21   19  20 1
            22   19  14 1
            23   20  21 1
            24   21  22 1
            25   21  23 2
            26   19  24 2
            27   19  25 2
            28   22  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   18  30 1
            33   30  31 1
            34   30  32 1

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