ZINC15:Syntax

The general form of a ZINC 15 api request is

http[s]://host/resource[.format[:columns][/variant][?page-view-controls | resource-constraints]

Where items in \[ square brackets \] are optional.

• host = zinc15.docking.org
• resource is one of the 15 ZINC15:Resources
• format is one of the 12 formats in the formats table below. If omitted, a web page is requested.
• columns is one or more of the columns in the columns table below. Not all columns make sense in all resource contexts. Examples are provided. There are sensible defaults for each resource, so the column specification may be omitted.
• variant is optionally one or more of the variants in the variants table below
• page-view-controls is optionally one or more of those listed in the page-view-controls table, below.
• resource constraints is optionally one or more of those in the resource-constraints table, below.

Format

We support the following formats

format	Description	options/links
json	substance table	notes about substance table
txt	lala	lala
csv	lala	asdf
xls	asdfasdf	sdfsdfdaf
tsv	qwer34	seradsf
xml	sdfasfd	sadfasdf

Columns

The result contains the specified columns in the output. If the column is in the reference-table, it is specified without a table specfification, otherwise, the column specification must be of the form table.item.

The following items are supported in each of the tables.

table name	Description	Notes/Links
substances	substance table	notes about substance table
ecfp4s	lala	lala
catalogitems	lala	asdf
catalogs	asdfasdf	sdfsdfdaf
protomers	qwer34	seradsf
genes	sdfasfd	sadfasdf
targets	asdfasdf	asdfasdf sa
activities	sadfasfsd	asdfasfd
organisms	asdf asdf	asdfasfd sadf

Objects from among these may be specified as part of a query_specification.

table name	Description	Notes/Links
substances	sub_id, structure, inchikey, up_date, logp, tpsa, hbd, hba	notes about substance table
structure	mwt, logp, tpsa, hba, hbd, num_atoms, num_heavy_atoms, rotatable_bonds, num_hetero_atoms, num_rings, inchi	lala
protomers	prot_id, sub_id_fk, desolv_apol, desolv_pol, net_charge	asdf
catalogs	cat_id, name, short_name, purchasable, free, version, updated, bb, np, drug	sdfsdfdaf
catalogitems	sub_id_fk, cat_id_fk, supplier_code, depleted	seradsf
genes	short_name	sadfasdf
targets	swissprot, uniprot, target, gene, affinity	asdfasdf sa
activities	affinitynM, target, gene, organism	asdfasfd
organisms	asdf asdf	asdfasfd sadf

Variants

We support the following variants

format	Description	options/links
page=x	substance table	notes about substance table
perpage=y	lala	lala
count=all	lala	asdf
distinct	asdfasdf	sdfsdfdaf
sort-by	qwer34	seradsf
xml	sdfasfd	sadfasdf

Format

We support the following resource constraints

format	Description	options/links
resource.attribute:operator	substance table	notes about substance table
blah	lala	lala
blah	lala	asdf
xls	asdfasdf	sdfsdfdaf
tsv	qwer34	seradsf
xml	sdfasfd	sadfasdf

Query operators

operator	Description	synonyms
@>	lala	contains
<@	lala	contained in
=	equals	eq
<	less than	lt
>	greater than	gt
<=	less than or equal	le
>=	greater than or equal	ge
between	sadfasfsd	asdfasfd
like, is, not , startswith, endswith, similar to	asdf asdf	asdfasfd sadf

NP, Drug and BB

quality	values	Notes/Links
NP	0=unknown, 1=biogenic, 2=metabolite, 3=endogenous human metabolite	lala
Drug	0=unknown, 1=annotated catalog, 2=bioactive, 4=bioactive in vitro < 1uM, 5=bioactive in cells <1uM, 6=in man, 8=world drug, 10=fda approved	lala
BB	f=not bb, t=bb	asdf

examples

http://zincapi.ucsf.bkslab.org/v1/substances/txt:smiles,zinc_id,tanimoto_similarity/catalog.purchasable%20gt%209&ecfp4.data%20similarto%20CC(=O)Oc1ccccc1C(=O)O%20within%20.5?count=all