KEGG   DRUG: Zasocitinib
Entry
D12941                      Drug                                   
Name
Zasocitinib (USAN/INN)
Formula
C23H24N8O3
Exact mass
460.1971
Mol weight
460.49
Structure
Efficacy
Anti-inflammatory, Tyrosine kinase 2 inhibitor
Comment
Treatment of plaque psoriasis and psoriatic arthritis
Target
TYK2 [HSA:7297] [KO:K11219]
  Pathway
hsa04217  Necroptosis
hsa04620  Toll-like receptor signaling pathway
hsa04621  NOD-like receptor signaling pathway
hsa04630  JAK-STAT signaling pathway
hsa04658  Th1 and Th2 cell differentiation
hsa04659  Th17 cell differentiation
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    TYK2
     D12941  Zasocitinib (USAN/INN)
Other DBs
CAS: 2272904-53-5
PubChem: 497621354
PDB-CCD: ZSB[PDBj]
LinkDB
KCF data

ATOM        34
            1   C8y C    13.5100  -14.8400
            2   C8x C    13.5100  -16.2400
            3   C8y C    14.7224  -16.9400
            4   N4y N    15.9349  -16.2400
            5   C8y C    15.9349  -14.8400
            6   N5x N    14.7224  -14.1400
            7   N5x N    17.2664  -16.6726
            8   C8x C    18.0893  -15.5400
            9   C8y C    17.2664  -14.4074
            10  N1b N    12.2976  -14.1400
            11  C8y C    11.1021  -14.8304
            12  C8y C     9.9147  -14.1450
            13  N4y N     8.7023  -14.8450
            14  C8x C     8.7024  -16.2450
            15  C8x C     9.8898  -16.9305
            16  C8x C    11.1022  -16.2304
            17  O5x O     9.9145  -12.7402
            18  C8y C     7.4710  -14.1341
            19  N5x N     7.4711  -12.7401
            20  C8x C     6.2587  -12.0400
            21  C8x C     5.0462  -12.7399
            22  C8x C     5.0461  -14.1339
            23  C8x C     6.2585  -14.8340
            24  C5a C    17.6975  -13.0806
            25  N1b N    19.0769  -12.7874
            26  O5a O    16.7711  -12.0515
            27  C1y C    20.0394  -13.8561
            28  C1x C    20.0239  -15.2600
            29  C1x C    21.4278  -15.2755
            30  C1y C    21.4432  -13.8716
            31  O2a O    22.4327  -12.9034
            32  C1a C    23.7853  -13.2816
            33  N1b N    14.7224  -18.3398
            34  C1a C    13.4932  -19.0497
BOND        38
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     7   8 2
            8     8   9 1
            9     5   9 2
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   11  16 2
            18   12  17 2
            19   13  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26    9  24 1
            27   24  25 1
            28   24  26 2
            29   27  25 1 #Up
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   27  30 1
            34   30  31 1 #Down
            35   31  32 1
            36    7   4 1
            37    3  33 1
            38   33  34 1

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