The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

bleomycin

Synonyms

(3-{[2-(2-{2-[(2S,3R)-2-[(2S,3S,4R)-4-[(2S,3R)-2-({6-amino-2-[(1S)-1-{[(2S)-2-amino-2-carbamoylethyl]amino}-2-carbamoylethyl]-5-methylpyrimidin-4-yl}formamido)-3-[(3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxy-2-methylpentanamido]-3-hydroxybutanamido]ethyl}-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]formamido}propyl)dimethylsulfanium

C55H84N17O21S3

ID

http://purl.obolibrary.org/obo/dinto_DB00290

AHFScode

10:00.00

ATCCode

L01DC01

CASRN

11056-06-7

DBBrand

blenoxane

bleo

DBSynonym

bleomycinum [inn-latin]

bleocin

blm

bleomicin

bleomycin a2

bleomycin sulfate

bleomycine [inn-french]

bleomicina [inn-spanish]

has pharmacological target

http://purl.obolibrary.org/obo/dinto_2873

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

InChIKey

InChIKey=OYVAGSVQBOHSSS-WXFSZRTFSA-O

inhibits

http://purl.obolibrary.org/obo/dinto_1672

http://purl.obolibrary.org/obo/dinto_2753

is metabolised by

http://purl.obolibrary.org/obo/dinto_1710

label

bleomycin

may interact with

http://purl.obolibrary.org/obo/dinto_DB01320

http://purl.obolibrary.org/obo/dinto_DB00337

http://purl.obolibrary.org/obo/CHEBI_4551

http://purl.obolibrary.org/obo/CHEBI_61049

http://purl.obolibrary.org/obo/dinto_DB00108

http://purl.obolibrary.org/obo/dinto_DB08870

http://purl.obolibrary.org/obo/CHEBI_6402

http://purl.obolibrary.org/obo/dinto_DB00072

http://purl.obolibrary.org/obo/CHEBI_47657

http://purl.obolibrary.org/obo/CHEBI_8107

prefixIRI

obo2:dinto_DB00290

prefLabel

bleomycin

related with

http://purl.obolibrary.org/obo/dinto_2873

SMILES

C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)C1=C(C)C(N)=NC(=N1)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CN=CN1)C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C

Synonym

(3-{[2-(2-{2-[(2S,3R)-2-[(2S,3S,4R)-4-[(2S,3R)-2-({6-amino-2-[(1S)-1-{[(2S)-2-amino-2-carbamoylethyl]amino}-2-carbamoylethyl]-5-methylpyrimidin-4-yl}formamido)-3-[(3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxy-2-methylpentanamido]-3-hydroxybutanamido]ethyl}-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]formamido}propyl)dimethylsulfanium

C55H84N17O21S3

xref

BindingDB:50122169

Drugs Product Database (DPD):2131692

PDB:BLM

Drugs.com:http://www.drugs.com/cdi/bleomycin.html

RxList:http://www.rxlist.com/cgi/generic3/bleomycin.htm

PubChem Compound:5360373

PubChem Substance:46509116

National Drug Code Directory:0703-3154-01

PharmGKB:PA448645

Wikipedia:http://en.wikipedia.org/wiki/Bleomycin

ChEBI:22907

ChemSpider:4514492

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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http://phenomebrowser.net/ontologies/mesh/mesh.owl#D12.644.233.110 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/372843005 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/UATC/L01DC01 ATC LOOM
http://purl.jp/bio/4/id/200906064494945155 IOBC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D09.400.420.110 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147730 NDFRT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0005740 OCHV LOOM
http://purl.org/obo/owl/CHEBI#CHEBI_22907 NPO LOOM
http://www.drugbank.ca/drugs/DB00290 FTC LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 PHIPO LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 GENEPIO LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 FYPO LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 FYPO LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 CCONT LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 FYPO LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 GENEPIO LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 FYPO LOOM
http://purl.obolibrary.org/obo/CHEBI_22907 FYPO LOOM
http://purl.bioontology.org/ontology/CSP/0192-9722 CRISP LOOM
http://purl.bioontology.org/ontology/RXNORM/1622 RXNORM LOOM
http://www.co-ode.org/ontologies/galen#Bleomycin GALEN LOOM
http://purl.bioontology.org/ontology/MESH/D001761 MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#1968 OCHV LOOM
http://purl.bioontology.org/ontology/VANDF/4019637 VANDF LOOM
http://stirdf.jst.go.jp/id/200907068334492625 IOBC LOOM
http://purl.obolibrary.org/obo/ARO_0000053 ARO LOOM
http://purl.bioontology.org/ontology/RCD/h22.. RCD LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C313 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C313 NCIT LOOM
http://purl.bioontology.org/ontology/SNMI/C-78020 SNMI LOOM
http://www.gamuts.net/entity#bleomycin GAMUTS LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D001761 RH-MESH LOOM