KEGG   DRUG: Sulphobromophthalein
Entry
D08548                      Drug                                   
Name
Sulphobromophthalein (BAN);
Sulfobromophthalein
Formula
C20H10Br4O10S2
Exact mass
789.6449
Mol weight
794.0334
Structure
Simcomp
Class
Transporter substrate
 DG02857  SLCO1A2 substrate
 DG02856  SLCO1B1 substrate
 DG02932  SLCO1B3 substrate
 DG02933  SLCO2B1 substrate
Remark
Same as: C11363
ATC code: V04CE02
Chemical structure group: DG01169
Efficacy
Diagnostic (liver function)
Metabolism
Transporter: SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234], SLCO1A2 [HSA:6579], SLCO2B1 [HSA:11309]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CE Tests for liver functional capacity
     V04CE02 Sulfobromophthalein
      D08548  Sulphobromophthalein (BAN)
Drug groups [BR:br08330]
 Transporter substrate
  DG02857  SLCO1A2 substrate
   DG01169  Sulfobromophthalein
    D08548  Sulphobromophthalein
  DG02856  SLCO1B1 substrate
   DG01169  Sulfobromophthalein
    D08548  Sulphobromophthalein
  DG02932  SLCO1B3 substrate
   DG01169  Sulfobromophthalein
    D08548  Sulphobromophthalein
  DG02933  SLCO2B1 substrate
   DG01169  Sulfobromophthalein
    D08548  Sulphobromophthalein
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D08548
Drug groups [BR:br08330]
 Transporter substrate
  DG02857  SLCO1A2 substrate
   DG01169  Sulfobromophthalein
  DG02856  SLCO1B1 substrate
   DG01169  Sulfobromophthalein
  DG02932  SLCO1B3 substrate
   DG01169  Sulfobromophthalein
  DG02933  SLCO2B1 substrate
   DG01169  Sulfobromophthalein
Other DBs
CAS: 297-83-6
PubChem: 96025233
ChEBI: 63836
PDB-CCD: BSP[PDBj]
LigandBox: D08548
NIKKAJI: J107.144K
LinkDB
KCF data

ATOM        36
            1   C8y C    20.0900  -19.1800
            2   C8y C    20.0900  -20.5800
            3   C8y C    21.2800  -21.2800
            4   C8y C    22.5400  -20.5800
            5   C8y C    22.5400  -19.1800
            6   C8y C    21.2800  -18.4800
            7   C7x C    23.8700  -21.0000
            8   O7x O    24.6400  -19.8800
            9   C1z C    23.8700  -18.7600
            10  X   Br   21.2800  -17.0800
            11  X   Br   18.9000  -18.4800
            12  X   Br   18.9000  -21.2800
            13  X   Br   21.2800  -22.6800
            14  C8y C    23.8700  -17.3600
            15  C8y C    25.2700  -18.7600
            16  O6a O    24.2900  -22.3300
            17  C8x C    25.0600  -16.6600
            18  C8y C    25.0600  -15.2600
            19  C8y C    23.8700  -14.5600
            20  C8x C    22.6100  -15.2600
            21  C8x C    22.6100  -16.6600
            22  C8x C    25.9700  -19.9500
            23  C8y C    27.3700  -19.9500
            24  C8y C    28.0700  -18.7600
            25  C8x C    27.3700  -17.5000
            26  C8x C    25.9700  -17.5000
            27  O1a O    23.8700  -13.1600
            28  S4a S    26.2500  -14.5600
            29  O1d O    27.4400  -13.8600
            30  O1d O    25.5500  -13.3000
            31  O1d O    26.9500  -15.7500
            32  O1a O    29.4700  -18.7600
            33  S4a S    28.0700  -21.1400
            34  O1d O    28.7700  -22.4000
            35  O1d O    29.2600  -20.4400
            36  O1d O    26.8100  -21.8400
BOND        39
            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    5   9 1
            11    6  10 1
            12    1  11 1
            13    2  12 1
            14    3  13 1
            15    9  14 1
            16    9  15 1
            17    7  16 2
            18   14  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   14  21 1
            24   15  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   15  26 1
            30   19  27 1
            31   18  28 1
            32   28  29 1
            33   28  30 2
            34   28  31 2
            35   24  32 1
            36   23  33 1
            37   33  34 1
            38   33  35 2
            39   33  36 2

» Japanese version   » Back

DBGET integrated database retrieval system