UCSF

Annotated Catalogs (41 in total)

These catalogs are not for sale, but the molecules have biological activity as reported in the source catalog. EFI and BKS (model systems) are subsets of Annotated compounds. Purchasable subsets of annotated catalogs are available as Purchasable Bioactive Compounds or PBCs.

 

These databases have been provided to us under collaborative agreements with each respective catalog owner. Catalogs have been filtered for drug discovery relevance, and thus compounds in the original catalog may not be in ZINC. Some documentation on ZINC subsets is available.

 

ZINC may be used free of charge for research by individuals and institutions. Whereas you are free to share the results of a ZINC search or a screen of molecules from ZINC, you may not redistribute major portions of ZINC without the express written permission of John Irwin.

Vendor Name Last
Updated		 Vendor Catalog Size ZINC Entries Filtered Unique Browse Download Usual Subset
Amidohydrolase AH-EFI Amidohydrolase AH-EFI 2011-11-01 470 848 2 20 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
Amino acid derivatives (EFI) Amino acid derivatives (EFI) 2011-12-20 246 243 0 20 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
AmpC ligands AmpC ligands 2008.7 21 21 0 0 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
AmpC non-binders AmpC non-binders 2008.7 84 119 0 17 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
BindingDB.org BindingDB.org 2012-01-03 345529 400626 26865 39162 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
CCP W191G binders CCP W191G binders 2011-10-05 43 56 0 3 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
CCP W191G non-binders CCP W191G non-binders 2011-10-05 17 24 0 1 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
ChEBI ChEBI 2012-01-26 16563 11596 2072 888 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
ChEMBL DrugStore ChEMBL DrugStore 2011-09-14 1437 1508 96 69 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
ChEMBL11 ChEMBL11 2011-09-08 1059560 1211557 75602 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
ChEMBL12 ChEMBL12 2011-12-19 1076486 1223663 62410 92843 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
ChEMBL12 10uM ChEMBL12 10uM 2011-12-29 238073 274827 15604 27266 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
Collaborative Drug Discovery Collaborative Drug Discovery 2011-11-17 1261617 31915 43687 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
DiPeptides (Hao) DiPeptides (Hao) 2011-12-20 5922 2911 0 239 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
DrugBank-approved DrugBank-approved 2012-01-26 1408 1761 85 92 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
DrugBank-experimental DrugBank-experimental 2012-01-26 5046 10253 897 738 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
DrugBank-nutriceuticals DrugBank-nutriceuticals 2012-01-26 75 115 3 4 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
DrugBank-Street Drugs DrugBank-Street Drugs 2012-01-26 172 279 0 43 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
DrugBank-withdrawn DrugBank-withdrawn 2012-01-26 66 88 3 4 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
Enolase EN-EFI Enolase EN-EFI 2011-10-25 4358 87 0 6 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
Enolase via KEGG (EFI) Enolase via KEGG (EFI) 2011-12-21 8973 6351 34 409 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
FDA-approved drugs (via DSSTOX) FDA-approved drugs (via DSSTOX) 2005-03-01 1217 3180 28 507 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
Glutathione Transferrase GST-EFI Glutathione Transferrase GST-EFI 2011-11-22 39 52 3 5 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
Haloacid dehalogenase HAD-EFI Haloacid dehalogenase HAD-EFI 2011-10-25 108 111 7 12 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
Human Metabolome Database Human Metabolome Database 2011-08-23 7886 4467 4280 333 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
Isoprenoid synthase IS-EFI Isoprenoid synthase IS-EFI 2011-11-30 13 14 1 11 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
IUPHAR Database IUPHAR Database 2011-07-27 1967 2276 203 256 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
KEGG via PubChem KEGG via PubChem 2011-11-28 19960 19851 2242 1666 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
L99A binders L99A binders 2011-10-05 74 71 43 2 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
L99A non-binders L99A non-binders 2011-10-05 68 64 0 2 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
L99A/M102Q binders L99A/M102Q binders 2011-10-05 94 101 0 3 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
L99A/M102Q non-binders L99A/M102Q non-binders 2011-10-05 24 26 0 0 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
mlsmr2 mlsmr2 2011-04-13 237280 292273 6758 47761 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
mlsmr3 AMPC Oliv mlsmr3 AMPC Oliv 2011-04-13 517196 537314 17713 92235 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
MLSMR4 May2011 MLSMR4 May2011 2011-04-27 366867 473598 14599 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
NCI Diversity II NCI Diversity II 2009.4 1364 1880 5 342 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
Phosphate sugars (EFI) Phosphate sugars (EFI) 2011-12-20 199 86 0 9 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
PubChem PubChem 2011-05-17 31453252 15467019 3193633 5367313 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
TCM Database @ Taiwan TCM Database @ Taiwan 2011-11-16 15747 6595 2876 280 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
UEFS Natural Products UEFS Natural Products 2011-11-29 503 473 7 382 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase
UMBBD UMBBD 2011-12-05 1319 1517 172 79 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase