KEGG   DRUG: Buloxibutid
Entry
D13133                      Drug                                   
Name
Buloxibutid (USAN/INN)
Formula
C23H29N3O4S2
Exact mass
475.1599
Mol weight
475.63
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
hsa04081  Hormone signaling
hsa04614  Renin-angiotensin system
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Angiotensin
    AGTR1
     D13133  Buloxibutid (USAN/INN)
    AGTR2
     D13133  Buloxibutid (USAN/INN)
Other DBs
CAS: 477775-14-7
PubChem: 513757670
LinkDB
KCF data

ATOM        32
            1   C8y C    17.8296  -17.0535
            2   C8x C    17.8296  -18.4637
            3   C8x C    19.0284  -19.1689
            4   C8y C    20.2976  -18.4637
            5   C8x C    20.2976  -17.0535
            6   C8x C    19.0284  -16.3483
            7   C1b C    21.4963  -19.1689
            8   N4y N    22.6951  -18.4637
            9   C8x C    24.0348  -18.8868
            10  C8x C    24.8105  -17.7586
            11  N5x N    24.0348  -16.6304
            12  C8x C    22.6951  -17.1240
            13  C8y C    16.6309  -16.3483
            14  C8y C    16.6309  -14.9381
            15  S2x S    15.2911  -14.5150
            16  C8y C    14.4450  -15.6432
            17  C8x C    15.2911  -16.7714
            18  C1b C    13.0347  -15.6432
            19  S4a S    17.8296  -14.2329
            20  N1b N    19.0284  -14.9381
            21  C7a C    20.2271  -14.2329
            22  O7a O    21.4258  -14.9381
            23  O6a O    20.2271  -12.8227
            24  O3c O    16.8325  -13.2358
            25  O3c O    18.5348  -13.0116
            26  C1b C    22.6529  -14.2429
            27  C1b C    23.8429  -14.9431
            28  C1b C    25.0572  -14.2551
            29  C1a C    26.2370  -14.9490
            30  C1c C    12.3296  -14.4219
            31  C1a C    10.9195  -14.4219
            32  C1a C    13.0250  -13.2176
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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