BLEOMYCIN

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Synonyms
Status
Molecule Category Free-form
ATC L01DC01
UNII 40S1VHN69B
EPA CompTox DTXSID20872327

Structure

InChI Key OYVAGSVQBOHSSS-UAPAGMARSA-O
Smiles Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1
InChI
InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C55H84N17O21S3+
Molecular Weight 1415.58

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 10.15-10.78
Enzyme Oxidoreductase
- - - - 97.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- 517-519 - - -
Electrophorus electricus
- - - - 10.15
Equus caballus
- - - - 10.78
Homo sapiens
- - - - 97.5

Related Entries

Cross References

Resources Reference
ChEBI 3139
ChEMBL CHEMBL403664
FDA SRS 40S1VHN69B
KEGG C06854
SureChEMBL SCHEMBL134155
CONTENTS