-
ChEMBL or
ChEMBLdb is a
manually curated chemical database of
bioactive molecules with drug
inducing properties. It is
maintained by the
European Bioinformatics...
- It is
related in
scope other databases such as
ChEMBL, ChemSpider, DrugBank,
MetaboLights and PubChem.
ChEBI data is
available through a
public web application...
- PMID 18600572.
Analoging in
ChEMBL,
DrugBank and the
Connectivity Map – a free web-service for
finding structural analogs in
ChEMBL, DrugBank, and the Connectivity...
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Identifiers CAS
Number 28772-56-7 Y 3D
model (JSmol)
Interactive image ChEMBL ChEMBL1165553
ChemSpider 10606098 ECHA
InfoCard 100.044.718 KEGG C18596 Y...
- D03284
ChEMBL ChEMBL3989426
Chemical and
physical data 3D
model (JSmol)
Interactive image SMILES [O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Zn+2] In
ChI In
ChI=1S/2Fe...
- been
adopted by many
larger and
smaller databases,
including ChemSpider,
ChEMBL, Golm
Metabolome Database, and PubChem. However, the
adoption is not straightforward...
- 5181-82-8 3D
model (JSmol) (racemic):
Interactive image ChEBI (racemic): CHEBI:166544
ChEMBL (racemic):
ChEMBL1314174
ChemSpider (racemic): 5687 Y ECHA InfoCard...
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DrugBank DB15171
ChemSpider 76714503 UNII OYN3CCI6QE KEGG D11360
ChEBI CHEBI:194186
ChEMBL ChEMBL4297839
Chemical and
physical data
Formula C225H348N48O68...
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DrugBank DB06283 N
ChemSpider 17291932 N UNII 7I64C51O16 KEGG D06363 Y
ChEMBL ChEMBL1201418 N
CompTox Dashboard (EPA) DTXSID60883174 ECHA
InfoCard 100...
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displaying wikidata descriptions as a
fallback ChEBI –
Chemical database and
ontology of
molecular entities ChEMBL –
Chemical database of
bioactive molecules...
