PCIDB

KNApSAcK Metabolite C00001400

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00001400
Name	Agmatine
CAS RN	306-60-5
Standard InChI	InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
Standard InChI (Main Layer)	InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)

Cluster

Phytochemical cluster	No. 78
KCF-S cluster	No. 7327

Link

ChEMBL

By standard InChI	CHEMBL58343
By standard InChI Main Layer	CHEMBL58343

KEGG

By LinkDB	C00179

CTD

By CAS RN	D000376

Species

Summary

Plant class

class name	count
rosids	5
asterids	2
eudicotyledons	1
Liliopsida	1

Family

family name	count
Fabaceae	5
Pedaliaceae	1
Montiaceae	1
Poaceae	1
Solanaceae	1

List (9)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Glycine max	3847	Fabaceae	rosids	Viridiplantae
Hordeum vulgare	4513	Poaceae	Liliopsida	Viridiplantae
Lathyrus sativus	3860	Fabaceae	rosids	Viridiplantae
Lyallia kerguelensis	442941	Montiaceae	eudicotyledons	Viridiplantae
Nicotiana tabacum (L.)	4097	Solanaceae	asterids	Viridiplantae
Psophocarpus tetragonolobus	3891	Fabaceae	rosids	Viridiplantae
Sesamum indicum	4182	Pedaliaceae	asterids	Viridiplantae
Vicia sativa	3908	Fabaceae	rosids	Viridiplantae
Wisteria floribunda	3922	Fabaceae	rosids	Viridiplantae

Human Protein / Gene in interaction

11 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
P10635	Cytochrome P450 2D6	Cytochrome P450 2D6	CHEMBL58343	CHEMBL1741321 (2)	1 / 0
O15244	Solute carrier family 22 member 2	Drug uniporter	CHEMBL58343	CHEMBL2075994 (1)	0 / 0
O15245	Solute carrier family 22 member 1	Drug uniporter	CHEMBL58343	CHEMBL993349 (1) CHEMBL2075990 (1) CHEMBL2077746 (1)	0 / 0
P11712	Cytochrome P450 2C9	Cytochrome P450 2C9	CHEMBL58343	CHEMBL1741325 (2)	0 / 1
P05177	Cytochrome P450 1A2	Cytochrome P450 1A2	CHEMBL58343	CHEMBL1741322 (2)	0 / 0
P19838	Nuclear factor NF-kappa-B p105 subunit	Transcription Factor	CHEMBL58343	CHEMBL1614274 (1) CHEMBL1613823 (1)	0 / 0
P16050	Arachidonate 15-lipoxygenase	Enzyme	CHEMBL58343	CHEMBL1614240 (1)	0 / 0
P33261	Cytochrome P450 2C19	Cytochrome P450 2C19	CHEMBL58343	CHEMBL1741323 (2)	1 / 1
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	CHEMBL58343	CHEMBL1741324 (2)	0 / 1
Q96KQ7	Histone-lysine N-methyltransferase EHMT2	Enzyme	CHEMBL58343	CHEMBL1738442 (1)	0 / 0
O75751	Solute carrier family 22 member 3	Unclassified protein	CHEMBL58343	CHEMBL2078181 (1)	0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM	preferred title	UniProt
#609535	Drug metabolism, poor, cyp2c19-related	P33261
#608902	Drug metabolism, poor, cyp2d6-related	P10635

KEGG DISEASE (3)

KEGG	disease name	UniProt
H00036	Osteosarcoma	P08684 (marker)
H01205	Coumarin resistance	P11712 (related)
H01171	Poor drug metabolism (PM)	P33261 (related)

Diseases related to CTD interactions

9 disease from interactions of metabolites

MeSH disease	OMIM	compound	disease name	evidence type	reference pmid
D001919		D000376	Bradycardia	therapeutic	16303638
D006930		D000376	Hyperalgesia	therapeutic	10193655 12618307
D006973		D000376	Hypertension	marker/mechanism	16303638
D007022		D000376	Hypotension	therapeutic	16303638
D009021		D000376	Morphine Dependence	therapeutic	15541421 15899480 20950603
D009293		D000376	Opioid-Related Disorders	therapeutic	12062577
D010146		D000376	Pain	therapeutic	15541421 18155693
D013375		D000376	Substance Withdrawal Syndrome	therapeutic	15541421
D013610		D000376	Tachycardia	marker/mechanism	16303638