| Entry |
|
|---|
| Name |
Elsibucol (USAN/INN) |
|---|
| Formula |
C35H54O4S2
|
|---|
| Exact mass |
602.3464
|
|---|
| Mol weight |
602.93
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Anti-inflammatory, Immunosuppressant |
|---|
| Comment |
Prevention of solid organ transplant rejection
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cell surface molecules and ligands
Cell adhesion molecules: Ig superfamiy
CAMs
VCAM1
D06582 Elsibucol (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 41
1 C1d C 36.5372 -19.6499
2 C8y C 35.3236 -18.9382
3 C1a C 37.7389 -20.3617
4 C1a C 35.8312 -20.8633
5 C1a C 37.2314 -18.4422
6 C8y C 35.3353 -17.5320
7 C8x C 34.1218 -19.6324
8 C8y C 34.1276 -16.8320
9 O2a O 36.5489 -16.8378
10 C8y C 32.9142 -18.9265
11 C1d C 34.1335 -15.4318
12 C8x C 32.9142 -17.5262
13 S2a S 31.7064 -19.6265
14 C1a C 34.1276 -14.0316
15 C1a C 35.5278 -15.3675
16 C1a C 32.7216 -15.3675
17 C1d C 30.4928 -18.9205
18 S2a S 29.2794 -19.6149
19 C1a C 31.4849 -17.9230
20 C1a C 29.4953 -17.9230
21 C8y C 28.0717 -18.9147
22 C8x C 28.0776 -17.4971
23 C8x C 26.8465 -19.6089
24 C8y C 26.8523 -16.7970
25 C8y C 25.6446 -18.9088
26 C1d C 26.8523 -15.3967
27 C8y C 25.6446 -17.4971
28 C1d C 24.4312 -19.6089
29 C1a C 26.9106 -13.9966
30 C1a C 28.2525 -15.4026
31 C1a C 25.4463 -15.4085
32 O1a O 24.4252 -16.7970
33 C1a C 23.2118 -20.3091
34 C1a C 25.1254 -20.8226
35 C1a C 23.7194 -18.3955
36 C1b C 37.7239 -17.5224
37 C1b C 38.9309 -16.8318
38 C1b C 40.1094 -17.5184
39 C6a C 41.3329 -16.8184
40 O6a O 42.5099 -17.5043
41 O6a O 41.2690 -15.4005
BOND 42
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 2
7 6 8 2
8 6 9 1
9 7 10 1
10 8 11 1
11 8 12 1
12 10 13 1
13 11 14 1
14 11 15 1
15 11 16 1
16 13 17 1
17 17 18 1
18 17 19 1
19 17 20 1
20 18 21 1
21 21 22 1
22 21 23 2
23 22 24 2
24 23 25 1
25 24 26 1
26 24 27 1
27 25 28 1
28 26 29 1
29 26 30 1
30 26 31 1
31 27 32 1
32 28 33 1
33 28 34 1
34 28 35 1
35 10 12 2
36 25 27 2
37 9 36 1
38 36 37 1
39 37 38 1
40 38 39 1
41 39 40 1
42 39 41 2
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