KEGG   DRUG: Stannsoporfin
Entry
D05922                      Drug                                   

Name
Stannsoporfin (USAN/INN);
Stanate (TN)
Formula
C34H34N4O4. Sn. 2Cl. 2H
Exact mass
754.1136
Mol weight
754.29
Structure
Simcomp
Efficacy
Antihyperbilirubinemia
Comment
Control of hyperbilirubinemia in preterm and term newborns (inhibitor of bilirubin [CPD:C00486])
Target
HMOX [HSA:3162 3163] [KO:K00510 K21418]
  Pathway
hsa00860  Porphyrin and chlorophyll metabolism
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Other monooxygenases
    HMOX
     D05922  Stannsoporfin (USAN/INN)
Other DBs
CAS: 106344-20-1
PubChem: 47207580
LigandBox: D05922
LinkDB
KCF data

ATOM        45
            1   C8y C    23.7814  -18.0604
            2   N5x N    26.1481  -19.4126
            3   C8y C    26.1481  -18.0604
            4   C8x C    24.9986  -17.3842
            5   N4x N    26.1481  -21.7794 #-
            6   C8y C    27.5006  -21.7794
            7   C8x C    28.2443  -20.6300
            8   C8y C    27.5006  -19.4126
            9   C8y C    22.4291  -19.4126
            10  C8x C    21.7528  -20.6300
            11  C8y C    22.4291  -21.7794
            12  N5x N    23.7814  -21.7794
            13  C8y C    23.7814  -23.1318
            14  C8x C    24.9986  -23.8755
            15  C8y C    26.1481  -23.1318
            16  C8y C    21.7528  -18.2632
            17  C8y C    22.6319  -17.3842
            18  C8y C    27.3653  -17.3842
            19  C8y C    28.2443  -18.2632
            20  C8y C    21.7528  -22.9966
            21  C8y C    22.6319  -23.8755
            22  C8y C    27.3653  -23.8755
            23  C8y C    28.2443  -22.9966
            24  C1a C    20.4003  -23.1318
            25  C1b C    22.4291  -25.2280
            26  C1a C    27.5681  -25.2280
            27  C1b C    20.4003  -18.0604
            28  C1a C    22.4291  -16.0317
            29  C1a C    27.5652  -15.9571
            30  C1b C    29.4287  -23.6779
            31  C1b C    30.6469  -22.9747
            32  C6a C    31.8648  -23.6779
            33  O6a O    33.0825  -22.9747 #-
            34  C1b C    29.4287  -17.5604
            35  C1b C    30.6469  -18.2635
            36  C6a C    31.8648  -17.5604
            37  O6a O    33.0825  -18.2635 #-
            38  O6a O    31.8648  -16.1541
            39  O6a O    31.8648  -25.0843
            40  C1a C    21.1022  -25.7500
            41  C1a C    19.5007  -19.1907
            42  N4x N    23.8480  -19.4126 #-
            43  Z   Sn   24.8632  -20.6300
            44  X   Cl   24.9900  -18.9700 #-
            45  X   Cl   24.9200  -22.3300 #-
BOND        46
            1     2   3 1
            2     3   4 2
            3     1   4 1
            4     5   6 1
            5     6   7 2
            6     7   8 1
            7     2   8 2
            8     9  10 1
            9    10  11 2
            10   11  12 1
            11   12  13 2
            12   13  14 1
            13   14  15 2
            14   15   5 1
            15    9  16 2
            16    1  17 2
            17   17  16 1
            18    3  18 1
            19    8  19 1
            20   18  19 2
            21   11  20 1
            22   13  21 1
            23   20  21 2
            24   15  22 1
            25    6  23 1
            26   23  22 2
            27   20  24 1
            28   21  25 1
            29   22  26 1
            30   16  27 1
            31   17  28 1
            32   18  29 1
            33   23  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   19  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   36  38 2
            42   32  39 2
            43   25  40 1
            44   27  41 1
            45    9  42 1
            46    1  42 1

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