KEGG   DRUG: Letaxaban
Entry
D09923                      Drug                                   

Name
Letaxaban (USAN/INN)
Formula
C22H26ClN3O5S
Exact mass
479.1282
Mol weight
479.9769
Structure
Class
Cardiovascular agent
 DG01662  Factor Xa inhibitor
 DG01950  Antithrombotic agent
  DG01662  Factor Xa inhibitor
Efficacy
Anticoagulant, Factor Xa inhibitor
Target
F10 [HSA:2159] [KO:K01314]
  Pathway
hsa04610  Complement and coagulation cascades
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Serine peptidases
    F10
     D09923  Letaxaban (USAN/INN)
Other DBs
CAS: 870262-90-1
PubChem: 135626660
ChEMBL: CHEMBL1095032
PDB-CCD: 443[PDBj]
LigandBox: D09923
LinkDB
KCF data

ATOM        32
            1   C1x C     7.1400  -29.3300
            2   C1x C     7.1400  -30.7300
            3   N1x N     8.3524  -31.4300
            4   C5x C     9.5649  -30.7300
            5   N1y N     9.5649  -29.3300
            6   C1x C     8.3524  -28.6300
            7   C1y C    10.7960  -28.6190
            8   C1x C    12.0012  -29.3147
            9   C1x C    13.2135  -28.6146
            10  N1y N    13.2135  -27.2146
            11  C1x C    12.0083  -26.5189
            12  C1x C    10.7959  -27.2190
            13  C5a C    14.4314  -26.5112
            14  C1c C    15.6434  -27.2107
            15  O5a O    14.4311  -25.1300
            16  C1b C    16.8223  -26.5298
            17  S4a S    18.0181  -27.2202
            18  C8y C    19.2051  -26.5347
            19  O1a O    15.6440  -28.6296
            20  C8x C    20.3967  -27.2226
            21  C8y C    21.6091  -26.5226
            22  C8y C    21.6091  -25.1226
            23  C8x C    20.4175  -24.4347
            24  C8x C    19.2051  -25.1347
            25  C8x C    22.8215  -27.2226
            26  C8x C    24.0340  -26.5226
            27  C8y C    24.0339  -25.1226
            28  C8x C    22.8215  -24.4226
            29  X   Cl   25.2251  -24.4347
            30  O3c O    18.7181  -28.4326
            31  O3c O    17.3181  -28.4326
            32  O5x O    10.7960  -31.4410
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   13  15 2
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   14  19 1 #Up
            21   18  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   18  24 1
            27   21  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   22  28 1
            32   27  29 1
            33   17  30 2
            34   17  31 2
            35    4  32 2

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