KNApSAcK
H26.03.02
2014licensed under CC2.1
25 10-
KNApSAcK
() () ()
( )
Natural Activity
Metabolite Activity
Core System
KNApSAcK Family
( - )
( )
33,707
101,443
100
KNApSAcKFamily
KNApSAcK
( - )
DB
( - )
( )
MEDICUS
( - )
( )
33,707
101,443
1.
2.
PCIDB
( )
KNApSAcK core
KNApSAcK
( )
NCBI taxonomy
(super)kingdom plant taxonomic class plant family
: (super)kingdom
KNApSAcK
: 18,313
77%
: 1,638 7%
: 1,579 7%
: 609 2%
/: 1,695
7%
23,834
: 84,241
83%
: 4,059 4%
: 5,150 5%
: 2,707 3%
/: 5,286
5%
- 101,443
: plant taxonomic class
3
: 6,871 38%
: 6,130 33%
: 684 4%
: 1,425 8%
: 2,078 11%
: 1,126
6%
18,313
: 28,603
34%
: 30,707
37%
: 2,872 3%
: 5,948 7%
: 10,208
12%
: 5,903
7%
- 84,241
: plant family
family
14%
11%
5%
4%
51%
Top11/430: - Fabaceae(): 11,679
Asteraceae(): 9,441
Lamiaceae(): 3,946
Rutaceae(): 3,136
Apocynaceae(): 2,710
Brassicaceae(): 2,486
Apiaceae(): 1,629
Papaveraceae(): 1,628
Ranunculaceae(): 1,529
Annonaceae(): 1,493
Solanaceae(): 1,489
: 43,007
( - )
( )
MEDICUS
( - )
KNApSAcK ChEMBL, CTD
Standard InChI (ChEMBL) IUPAC (Main Layer)
CAS (CTD) ID
() + PubChem
>73 >1200 >130
6,367 2,784
Release 17 (Aug. 2013)
Homo sapiens,
2,784
Ra us norvegicus,
773
Mus musculus,
678
others, 2,132
Ver. Oct. 2013
C () G () 53 C (MeSH Term) - G (Entrez gene id) >88 (curated)
C () D () therapeutic marker/mechanism C (MeSH Term) - D (MeSH Term) >18 (curated)
G D OMIM therapeutic marker/mechanism >28 (curated)
Linked to ChEMBL, 9,487
Linked to ChEMBL (main layer), 6,173
No link, 34,388
KNApSAcK ChEMBL (Standard InChI)
15,660
15,660 ChEMBL
4,712
Linked to human protein target,
4,712
Linked to other protein target, 959
Linked to target, 8,470
No target, 1,519
50,048 KNApSAcK
No link, 48,925
91 448584
CTD disease 675
CTD gene1032
KNApSAcK CTD (CAS )
1
1,123
50,048 KNApSAcK
( )
KEGG BRITE
br08003, Phytochemical Compounds
(KCF-S cluster) KCF-S (GIW2013, Kotera et al.,)
(phytochemical cluster)
phytochemical clusters
KEGG BRITE : 161
: 994
1 2 3 4
1 2 3 4 5 6,7,8
84 phytochemical cluster
KEGG BRITE (br08003, Phytochemical Compounds) A, B, C, D 4 C : 163
KCF-S cluster 8,955 clusters (3,245 singletons) 10,000 descriptors similarity / clustering cutoff value = 0.7 / 0.5
phytochemical cluster ( ) 84 clusters 161 994 KCF-S clusters 51% ChEMBL 73%
phytochemical clusters
phytochemical cluster
phytochemical cluster
( )
( )
KEGG BRITE(Quinolizidine alkaloids)
KCF-S cluster
phytochemical cluster ( )
KCF-S cluster
phytochemical cluster
( )
( )
KEGG BRITE(Quinolizidine alkaloids)
KCF-S cluster
KCF-S cluster
( )
( )
KEGG BRITE(Quinolizidine alkaloids)
( - )
[a]MEDICUS
[b]( - )
( )
phytochemical cluster ( [a])ChEMBL
UniProt ID
KNApSAcK(
OMIM / KEGG )
Entrez gene ID
CTD
phytochemical cluster ( [a])
KNApSAcK
C00002227
ChEMBL/CTD
( [a])
ChEMBL Assay / Activity
phytochemical cluster ( [a])
KEGG DISEASE ID
ChEMBL
OMIM phenotype IDID ID
( - )
[a]MEDICUS
[b]( - )
[b]
( )
CTD
phytochemical cluster ( [b])
IDKNApSAcK ID
( - )
MEDICUS
( - )
KNApSAcK Core
( )
( - )
MEDICUS
( - )
Natural Activity
( )
( - )
Natural Activity
KNApSAcK
NCBI taxonomy
Natural Activity
(Anticancer)(Antileukemic)
Species
Natural Activity
Acnistus arborescens C00003676
P31749 (Akt)
Species
P31749 (Akt)
Natural ActivitySpecies
CTD C00003676
KNApSAcK NCBI Taxonomy
KNApSAcK ChEMBL, CTD
KNApSAcK
PCIDB( PhytoChemical Interactions DB )
MetaMap, UMLS
ChEMBL CTD ) : KEGG DRUG: KEGG ENVIRON: SIDER
ChEMBL
()
KNApSAcK KCF-S clusterphytochemical cluster
