DRUG: Cilastatin
Entry
D07698 Drug
Name
Cilastatin (INN)
Formula
C16H26N2O5S
Exact mass
358.1562
Mol weight
358.453
Structure
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)
Other DBs
CAS:
82009-34-5
PubChem:
51091997
ChEBI:
3697
ChEMBL:
CHEMBL766
DrugBank:
DB01597
PDB-CCD:
CIL
[
PDBj
]
LigandBox:
D07698
NIKKAJI:
J32.849I
LinkDB
KCF data
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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