| Entry |
|
|---|
| Name |
Aderbasib (USAN/INN) |
|---|
| Formula |
C21H28N4O5
|
|---|
| Exact mass |
416.2060
|
|---|
| Mol weight |
416.47
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, ADAM metallopeptidase inhibitor |
|---|
| Comment |
ADMA (A Disintegrin And Metalloproteinase) inhibitor
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Metallo peptidases
ADAM10
D09320 Aderbasib (USAN/INN)
ADAM17
D09320 Aderbasib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 28.3500 -21.3500
2 C8x C 28.3500 -22.7500
3 C8x C 29.5400 -23.4500
4 C8x C 30.8000 -22.7500
5 C8x C 30.8000 -21.3500
6 C8x C 29.5400 -20.6500
7 N1y N 27.1600 -20.6500
8 C1x C 27.1600 -19.2500
9 C1x C 25.9000 -18.5500
10 N1y N 24.7100 -19.2500
11 C1x C 24.7100 -20.6500
12 C1x C 25.9000 -21.3500
13 C5a C 23.5200 -18.5500
14 C1y C 21.7000 -19.7400
15 O5a O 23.5200 -17.1500
16 N1y N 20.5100 -19.0400
17 C1x C 19.2500 -19.7400
18 C1z C 19.2500 -21.1400
19 C1x C 20.4400 -21.8400
20 C1y C 21.7000 -21.1400
21 C7a C 20.5100 -17.6400
22 O7a O 19.3200 -16.9400
23 O6a O 21.7000 -16.9400
24 C1a C 18.1300 -17.6400
25 C1x C 18.4800 -22.4000
26 C1x C 17.8500 -21.1400
27 C5a C 22.9066 -21.8500
28 N1b N 24.1163 -21.1647
29 O1b O 25.3366 -21.8830
30 O5a O 22.8951 -23.2400
BOND 33
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 10 13 1
15 14 13 1 #Down
16 13 15 2
17 14 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 14 20 1
23 16 21 1
24 21 22 1
25 21 23 2
26 22 24 1
27 25 18 1
28 18 26 1
29 26 25 1
30 20 27 1 #Up
31 27 28 1
32 28 29 1
33 27 30 2
|
|---|
