KEGG   DRUG: SincalideHelp
Entry
D05845                      Drug                                   

Name
Sincalide (USP/INN);
Cholecystokinin-pancreozymin;
Kinevac (TN)
Product
Formula
C49H62N10O16S3
Exact mass
1142.3507
Mol weight
1143.269
Structure
Mol fileKCF fileDB search
Sequence
Asp Tyr Met Gly Trp Met Asp Phe-NH2 (-SO3H combined: 2)
  Type
Peptide
Remark
ATC code: V04CC03 V04CK02
Product: D05845<US>
Efficacy
Choleretic
Comment
Peptide hormone
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CC Tests for bile duct patency
     V04CC03 Sincalide
      D05845  Sincalide (USP/INN) <US>
    V04CK Tests for pancreatic function
     V04CK02 Pancreozymin (cholecystokinin)
      D05845  Sincalide (USP/INN) <US>
BRITE hierarchy
Other DBs
CAS: 25126-32-3
PubChem: 47207506
ChEMBL: CHEMBL1121
LigandBox: D05845
NIKKAJI: J236.060H
LinkDB All DBs
KCF data Show

ATOM        78
            1   C1b C    29.5819  -16.0161
            2   C1c C    29.5876  -17.3922
            3   N1b N    30.7687  -18.1516
            4   C5a C    28.3876  -18.1047
            5   O5a O    28.4046  -19.5002
            6   C5a C    31.9832  -17.5260
            7   N1b N    27.1616  -17.4168
            8   C1c C    25.9861  -18.1148
            9   C5a C    24.7781  -17.4367
            10  C1b C    25.9333  -19.5009
            11  C1b C    24.7332  -20.2136
            12  S2a S    24.6804  -21.5941
            13  C1a C    23.4780  -22.3083
            14  N1b N    23.5687  -18.1552
            15  O5a O    24.7612  -16.0122
            16  C1c C    22.3542  -17.4741
            17  C5a C    21.1682  -18.1789
            18  N1b N    19.9649  -17.5039
            19  O5a O    21.1156  -19.5707
            20  C1b C    22.3365  -16.0823
            21  C6a C    21.0950  -15.3857
            22  O6a O    19.9131  -16.0876
            23  O6a O    21.0773  -13.9891
            24  C1c C    18.7536  -18.2241
            25  C5a C    17.5396  -17.5437
            26  C1b C    18.7716  -19.6402
            27  C8y C    17.5533  -20.3647
            28  N1a N    16.3538  -18.2489
            29  O5a O    17.5913  -16.1521
            30  C8x C    16.3298  -19.6794
            31  C8x C    15.1304  -20.3929
            32  C8x C    15.1486  -21.7883
            33  C8x C    16.3722  -22.4736
            34  C8x C    17.5713  -21.7601
            35  C1b C    33.1812  -18.2962
            36  N1b N    34.4211  -17.6574
            37  C5a C    35.6261  -18.4317
            38  C1c C    36.8620  -17.7946
            39  N1b N    38.0690  -18.5700
            40  C8y C    28.3508  -15.3185
            41  C8y C    28.3798  -13.9223
            42  C8y C    27.0603  -13.4646
            43  N4x N    26.2173  -14.5780
            44  C8x C    27.0156  -15.7239
            45  C8x C    29.4351  -13.0091
            46  C8x C    29.1720  -11.6386
            47  C8x C    27.8525  -11.1808
            48  C8x C    26.7971  -12.0940
            49  O5a O    31.9796  -16.1523
            50  O5a O    35.6282  -19.8478
            51  C1b C    36.9279  -16.4113
            52  C1b C    35.7615  -15.6615
            53  S2a S    35.7595  -14.2383
            54  C1a C    34.5397  -13.5363
            55  C5a C    39.3101  -17.9298
            56  C1c C    40.5166  -18.7046
            57  C1b C    41.7608  -18.0627
            58  O5a O    39.3056  -16.5515
            59  N1b N    40.5193  -20.1255
            60  C5a C    39.3088  -20.8275
            61  C8y C    42.9735  -18.8412
            62  C8x C    42.9764  -20.2659
            63  C8x C    44.0866  -21.0237
            64  C8y C    45.4032  -20.3804
            65  C8x C    45.4003  -18.9557
            66  C8x C    44.2199  -18.1979
            67  O2a O    46.6281  -21.1433
            68  S4a S    47.8429  -21.8446
            69  O1d O    49.0577  -22.5459
            70  O1d O    48.5528  -20.6159
            71  O1d O    47.1499  -23.0439
            72  O5a O    38.1108  -20.1388
            73  C1c C    39.3114  -22.2313
            74  N1a N    40.5429  -22.9395
            75  C1b C    38.1134  -22.9261
            76  C6a C    36.9201  -22.2401
            77  O6a O    35.7310  -22.9298
            78  O6a O    36.9173  -20.8291
BOND        81
            1     2   1 1 #Down
            2     2   3 1
            3     2   4 1
            4     4   5 2
            5     3   6 1
            6     4   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 1 #Up
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    9  14 1
            14    9  15 2
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 2
            19   16  20 1 #Down
            20   20  21 1
            21   21  22 1
            22   21  23 2
            23   18  24 1
            24   24  25 1
            25   24  26 1 #Up
            26   26  27 1
            27   25  28 1
            28   25  29 2
            29   27  30 2
            30   30  31 1
            31   31  32 2
            32   32  33 1
            33   33  34 2
            34   27  34 1
            35    6  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   38  39 1
            40    1  40 1
            41   40  41 1
            42   41  42 1
            43   42  43 1
            44   43  44 1
            45   40  44 2
            46   41  45 2
            47   45  46 1
            48   46  47 2
            49   47  48 1
            50   42  48 2
            51    6  49 2
            52   37  50 2
            53   38  51 1 #Down
            54   51  52 1
            55   52  53 1
            56   53  54 1
            57   39  55 1
            58   55  56 1
            59   56  57 1
            60   55  58 2
            61   56  59 1 #Down
            62   59  60 1
            63   57  61 1
            64   61  62 2
            65   62  63 1
            66   63  64 2
            67   64  65 1
            68   65  66 2
            69   61  66 1
            70   64  67 1
            71   67  68 1
            72   68  69 1
            73   68  70 2
            74   68  71 2
            75   60  72 2
            76   73  60 1
            77   73  74 1 #Up
            78   73  75 1
            79   75  76 1
            80   76  77 1
            81   76  78 2

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