KEGG   DRUG: Cilastatin sodiumHelp
Entry
D02194                      Drug                                   

Name
Cilastatin sodium (JP17/USP);
CS
Formula
C16H25N2O5S. Na
Exact mass
380.1382
Mol weight
380.4349
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01397
Product (mixture): D00344<JP/US>
Efficacy
Potentiator (antibacterial), Dehydropeptidase I inhibitor
Target
DPEP1 [HSA:1800] [KO:K01273]
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Dipeptidases
    DPEP1
     D02194  Cilastatin sodium (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02194  Cilastatin sodium
BRITE hierarchy
Other DBs
CAS: 81129-83-1
PubChem: 7849254
ChEBI: 59511
ChEMBL: CHEMBL1201057
DrugBank: DB01597
LigandBox: D02194
NIKKAJI: J135.038B
KCF data Show

ATOM        25
            1   C1z C    23.6195  -15.5928
            2   C1a C    25.1095  -15.5928
            3   C1a C    24.3645  -14.3355
            4   C1y C    22.9210  -16.8501
            5   C1x C    22.1760  -15.5928
            6   C5a C    22.9210  -18.2004
            7   N1b N    21.7104  -18.8989
            8   O5a O    24.1317  -18.8989
            9   C2c C    21.7104  -20.2958
            10  C2b C    22.9210  -20.9942
            11  C6a C    20.5928  -20.9942
            12  C1b C    24.1317  -20.2958
            13  O6a O    19.3822  -20.2958 #-
            14  O6a O    20.5928  -22.3912
            15  C1b C    25.3424  -20.9942
            16  C1b C    26.5065  -20.2958
            17  C1b C    27.7171  -20.9942
            18  S2a S    28.9278  -20.2958
            19  C1b C    30.0919  -20.9942
            20  C1c C    31.3025  -20.2958
            21  C6a C    32.4667  -20.9942
            22  N1a N    31.3025  -18.8989
            23  O6a O    32.4667  -22.3912
            24  O6a O    33.6774  -20.2958
            25  Z   Na   19.0401  -18.2934 #+
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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