KEGG   COMPOUND: C18128Help
Entry
C18128                      Compound                               

Name
Naltrindole;
NTI
Formula
C26H26N2O3
Exact mass
414.1943
Mol weight
414.4962
Structure
Mol fileKCF fileDB search
Pathway
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: peptide receptors
   Opioid
    delta-opioid receptor
     C18128  Naltrindole
BRITE hierarchy
Other DBs
CAS: 111555-53-4
PubChem: 96024345
ChEBI: 81528
ChEMBL: CHEMBL567175
PDB-CCD: EJ4[PDBj]
NIKKAJI: J304.821G
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1z C    24.9900  -27.5800
            2   C8y C    24.9900  -26.2500
            3   C1z C    26.1800  -28.2800
            4   C1y C    23.8700  -28.2100
            5   C1x C    26.1800  -26.8800
            6   C8y C    23.8700  -25.6200
            7   C8y C    26.1800  -25.6200
            8   C1y C    27.2300  -27.5800
            9   C1x C    26.1800  -29.4700
            10  O2x O    22.5400  -26.8100
            11  C8y C    23.8700  -29.4700
            12  C1x C    28.3500  -26.8800
            13  C8y C    23.8700  -24.2900
            14  C1x C    27.2300  -26.3200
            15  C8x C    26.1800  -24.2900
            16  N1y N    28.3500  -28.2800
            17  C8y C    24.9900  -30.1700
            18  C8x C    25.0600  -23.6600
            19  O1a O    22.7500  -23.6600
            20  O1a O    27.3700  -29.1200
            21  C1b C    29.5400  -27.5800
            22  C1y C    30.7300  -28.2800
            23  C1x C    31.4300  -29.4700
            24  C1x C    32.0600  -28.2800
            25  C8y C    24.9712  -31.5699
            26  C8y C    23.7638  -32.2456
            27  C8x C    23.7451  -33.6455
            28  C8x C    24.9481  -34.3616
            29  C8x C    26.1555  -33.6859
            30  C8x C    26.1742  -32.2860
            31  N4x N    22.6001  -30.8099
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   13  18 2
            18   13  19 1
            19    6  10 1
            20    8  14 1
            21   11  17 2
            22   12  16 1
            23   15  18 1
            24    3  20 1 #Up
            25   21  22 1
            26   21  16 1
            27   23  24 1
            28   24  22 1
            29   22  23 1
            30   17  25 1
            31   25  26 1
            32   26  27 2
            33   27  28 1
            34   28  29 2
            35   29  30 1
            36   25  30 2
            37   11  31 1
            38   31  26 1

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