Entry
Name
Bleomycin (INN); BLM; Bleomycin Hexal (TN)
Formula
C50H71N16O21S2R
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Source
Streptomyces verticillus [TAX:
29309 ]
Remark
Product (DG00705): D02177<JP /US > D03229<JP >
Efficacy
Antibiotic, Antineoplastic
Comment
Mixture of Bleomycin acid, Bleomycin A, and B
Bleomycin acid (CAS 37364-66-2) (R = -OH)
Bleomycin A [CPD:
C15774 ]
Bleomycin B [CPD:
C15775 ]
Target
DNA
Interaction
DDI search
Structure map
map07042 Antineoplastics - agents from natural products
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
L01DC Other cytotoxic antibiotics
L01DC01 Bleomycin
D07535 Bleomycin (INN)
BRITE hierarchy
Other DBs
KCF data
Show ATOM 90
1 C1c C 21.4231 -13.2007
2 C5a C 22.6164 -12.4988
3 N1b N 23.8096 -13.2007
4 C1c C 21.4231 -14.6046
5 O1a O 20.2299 -15.2363
6 C1a C 22.6164 -15.2363
7 O5a O 22.6164 -11.0950
8 C1b C 25.0028 -12.4988
9 C1c C 13.2108 -15.7978
10 C5a C 14.3339 -15.1661
11 N1b N 15.4569 -15.7978
12 O5a O 14.3339 -13.7623
13 C1c C 16.6502 -15.1661
14 C1c C 16.6502 -13.2007
15 C1c C 17.8434 -12.4988
16 O1a O 15.4569 -12.4988
17 C5a C 19.0366 -13.2007
18 N1b N 20.2299 -12.4988
19 O5a O 19.0366 -14.6046
20 C1a C 17.8434 -11.0950
21 C1a C 17.8434 -15.7978
22 N5x N 8.3677 -11.6566
23 C8y C 8.3677 -13.0604
24 C8y C 9.5609 -13.7623
25 C8y C 10.8244 -13.0604
26 N5x N 10.8244 -11.6566
27 C8y C 9.5609 -10.9547
28 C1c C 9.5609 -9.5508
29 N1a N 7.1745 -13.7623
30 C5a C 12.0176 -13.7623
31 N1b N 10.7542 -8.8489
32 C1b C 11.9474 -9.5508
33 C1c C 13.1407 -8.8489
34 C5a C 14.2637 -9.5508
35 N1a N 13.1407 -7.4451
36 N1a N 15.4569 -8.8489
37 O5a O 14.2637 -10.9547
38 O5a O 13.2108 -13.0604
39 N1b N 12.0176 -15.1661
40 C1a C 9.5609 -15.1661
41 C1b C 8.3677 -8.8489
42 C5a C 7.1745 -9.5508
43 N1a N 5.9812 -8.8489
44 O5a O 7.1745 -10.9547
45 C1b C 26.1961 -13.2007
46 C8y C 26.1961 -14.6046
47 S2x S 25.0730 -15.3767
48 C8x C 25.4942 -16.7103
49 C8y C 26.9682 -16.7103
50 N5x N 27.3893 -15.3767
51 C1c C 13.2108 -17.2016
52 O2a O 12.0176 -17.9035
53 C1y C 10.7542 -17.2718
54 O2x O 9.5609 -16.5699
55 C1y C 8.2975 -17.2718
56 C1y C 8.2975 -18.6756
57 C1y C 9.5609 -19.3775
58 C1y C 10.7542 -18.6756
59 C1b C 7.1043 -16.5699
60 O1a O 5.9110 -17.2718
61 O1a O 7.1043 -19.3775
62 O1a O 9.5609 -20.7111
63 O2a O 11.9474 -19.3775
64 C1y C 11.9474 -20.7111
65 O2x O 10.7542 -21.4130
66 C1y C 10.7542 -22.8168
67 C1y C 11.9474 -23.5187
68 C1y C 13.2108 -22.8168
69 C1y C 13.2108 -21.4130
70 C1b C 9.5609 -23.5187
71 O1a O 11.9474 -24.9225
72 O7a O 14.5445 -23.5187
73 O1a O 14.3339 -20.7111
74 C8y C 14.3339 -17.9035
75 N5x N 14.3339 -19.3073
76 C8x C 15.5973 -19.7285
77 N4x N 16.4396 -18.6054
78 C8x C 15.5973 -17.4824
79 S2x S 26.8278 -19.0967
80 C8y C 27.6701 -17.9737
81 C8x C 27.6701 -20.2198
82 C8y C 29.0037 -19.7986
83 N5x N 29.0037 -18.3948
84 C5a C 30.1969 -20.5006
85 R R 31.4603 -19.7986
86 O5a O 30.1969 -21.9044
87 C7a C 16.0185 -22.8168
88 N1a N 17.2117 -23.5187
89 O6a O 16.0185 -21.4130
90 O1a O 8.2975 -22.8168
BOND 95
1 1 2 1
2 2 3 1
3 1 4 1
4 4 5 1 #Up
5 4 6 1
6 2 7 2
7 3 8 1
8 9 10 1
9 10 11 1
10 10 12 2
11 11 13 1
12 13 14 1
13 14 15 1
14 14 16 1 #Up
15 15 17 1
16 17 18 1
17 17 19 2
18 15 20 1 #Down
19 13 21 1 #Up
20 22 23 2
21 23 24 1
22 24 25 2
23 25 26 1
24 26 27 2
25 22 27 1
26 27 28 1
27 23 29 1
28 25 30 1
29 28 31 1
30 31 32 1
31 32 33 1
32 33 34 1
33 33 35 1 #Down
34 34 36 1
35 34 37 2
36 30 38 2
37 30 39 1
38 24 40 1
39 41 42 1
40 28 41 1 #Down
41 42 43 1
42 42 44 2
43 9 39 1 #Down
44 1 18 1 #Down
45 8 45 1
46 45 46 1
47 46 47 1
48 47 48 1
49 48 49 2
50 49 50 1
51 46 50 2
52 9 51 1
53 53 52 1 #Up
54 53 54 1
55 54 55 1
56 55 56 1
57 56 57 1
58 57 58 1
59 53 58 1
60 55 59 1 #Down
61 59 60 1
62 56 61 1 #Down
63 57 62 1 #Up
64 58 63 1 #Up
65 64 63 1 #Down
66 64 65 1
67 65 66 1
68 66 67 1
69 67 68 1
70 68 69 1
71 64 69 1
72 66 70 1 #Up
73 67 71 1 #Down
74 68 72 1 #Up
75 69 73 1 #Up
76 51 74 1
77 74 75 1
78 75 76 2
79 76 77 1
80 77 78 1
81 74 78 2
82 51 52 1 #Down
83 79 80 1
84 49 80 1
85 79 81 1
86 81 82 2
87 82 83 1
88 80 83 2
89 82 84 1
90 84 85 1
91 84 86 2
92 72 87 1
93 87 88 1
94 87 89 2
95 70 90 1