KEGG   DRUG: CilastatinHelp
Entry
D07698                      Drug                                   

Name
Cilastatin (INN)
Formula
C16H26N2O5S
Exact mass
358.1562
Mol weight
358.453
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C01675
Chemical structure group: DG01397
Efficacy
Potentiator (antibacterial), Dehydropeptidase I inhibitor
Target
DPEP1 [HSA:1800] [KO:K01273]
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Dipeptidases
    DPEP1
     D07698  Cilastatin (INN)
BRITE hierarchy
Other DBs
CAS: 82009-34-5
PubChem: 51091997
ChEBI: 3697
ChEMBL: CHEMBL766
DrugBank: DB01597
PDB-CCD: CIL[PDBj]
LigandBox: D07698
NIKKAJI: J32.849I
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1z C    23.5062  -15.5505
            2   C1a C    24.9704  -15.5505
            3   C1a C    24.2035  -14.2954
            4   C1y C    22.8090  -16.8055
            5   C1x C    22.1117  -15.5505
            6   C5a C    22.8090  -18.1303
            7   N1b N    21.6237  -18.8275
            8   O5a O    23.9943  -18.8275
            9   C2c C    21.6237  -20.2220
            10  C2b C    22.8090  -20.9193
            11  C6a C    20.4384  -20.9193
            12  C1b C    23.9943  -20.2220
            13  O6a O    19.2530  -20.2220
            14  O6a O    20.4384  -22.4532
            15  C1b C    25.1796  -20.9193
            16  C1b C    26.3649  -20.2220
            17  C1b C    27.5503  -20.9193
            18  S2a S    28.7356  -20.2220
            19  C1b C    29.9209  -20.9193
            20  C1c C    31.1062  -20.2220
            21  C6a C    32.2915  -20.9193
            22  N1a N    31.1062  -18.8275
            23  O6a O    32.2915  -22.4532
            24  O6a O    33.4768  -20.2220
BOND        24
            1     5   1 1
            2     1   2 1
            3     1   3 1
            4     4   1 1
            5     4   6 1 #Up
            6     6   7 1
            7     6   8 2
            8     7   9 1
            9     9  10 2
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1 #Down
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24    4   5 1

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