PCIDB

KNApSAcK Metabolite C00002127

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00002127
Name	Usaramine
CAS RN	15503-87-4
Standard InChI	InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15-,18-/m1/s1
Standard InChI (Main Layer)	InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3

Cluster

Phytochemical cluster	No. 2
KCF-S cluster	No. 622

Link

ChEMBL

By standard InChI	CHEMBL520570
By standard InChI Main Layer	CHEMBL520570 CHEMBL496894 CHEMBL1321908 CHEMBL1599718

KEGG

By LinkDB	C10413

CTD

By CAS RN

Species

Summary

Plant class

class name	count
rosids	8

Family

family name	count
Fabaceae	8

List (8)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Crotalaria brevidens	1132170	Fabaceae	rosids	Viridiplantae
Crotalaria brevifolia	3828	Fabaceae	rosids	Viridiplantae
Crotalaria incana	46447	Fabaceae	rosids	Viridiplantae
Crotalaria intermedia	3828	Fabaceae	rosids	Viridiplantae
Crotalaria mucronata	3830	Fabaceae	rosids	Viridiplantae
Crotalaria naragutensis	3828	Fabaceae	rosids	Viridiplantae
Crotalaria trichotoma	452830	Fabaceae	rosids	Viridiplantae
Crotalaria usaramoensis	452830	Fabaceae	rosids	Viridiplantae

Human Protein / Gene in interaction

15 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
P10635	Cytochrome P450 2D6	Cytochrome P450 2D6	CHEMBL1599718	CHEMBL1741321 (1)	1 / 0
P11712	Cytochrome P450 2C9	Cytochrome P450 2C9	CHEMBL1599718	CHEMBL1741325 (1)	0 / 1
P11308	Transcriptional regulator ERG	Unclassified protein	CHEMBL496894	CHEMBL2114924 (1)	1 / 2
P83916	Chromobox protein homolog 1	Unclassified protein	CHEMBL496894	CHEMBL1794401 (1)	0 / 0
O94782	Ubiquitin carboxyl-terminal hydrolase 1	Enzyme	CHEMBL1599718	CHEMBL1794467 (1)	0 / 0
P05177	Cytochrome P450 1A2	Cytochrome P450 1A2	CHEMBL1599718	CHEMBL1741322 (1)	0 / 0
Q96QE3	ATPase family AAA domain-containing protein 5	Unclassified protein	CHEMBL496894	CHEMBL1738588 (1)	0 / 0
P33261	Cytochrome P450 2C19	Cytochrome P450 2C19	CHEMBL1599718	CHEMBL1741323 (1)	1 / 1
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	CHEMBL1599718	CHEMBL1741324 (1)	0 / 1
P27695	DNA-(apurinic or apyrimidinic site) lyase	Enzyme	CHEMBL496894 CHEMBL1599718	CHEMBL1614211 (3)	0 / 0
Q9UBT6	DNA polymerase kappa	Enzyme	CHEMBL496894	CHEMBL1794536 (1)	0 / 0
B2RXH2	Lysine-specific demethylase 4E	Enzyme	CHEMBL1599718	CHEMBL1613914 (1)	0 / 0
P46063	ATP-dependent DNA helicase Q1	Enzyme	CHEMBL496894	CHEMBL1613829 (2)	0 / 0
Q13951	Core-binding factor subunit beta	Unclassified protein	CHEMBL496894 CHEMBL1599718	CHEMBL1613933 (2)	0 / 1
Q01196	Runt-related transcription factor 1	Unclassified protein	CHEMBL496894 CHEMBL1599718	CHEMBL1613933 (2)	1 / 6

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM	preferred title	UniProt
#609535	Drug metabolism, poor, cyp2c19-related	P33261
#608902	Drug metabolism, poor, cyp2d6-related	P10635
#612219	Ewing sarcoma; es	P11308
#601399	Platelet disorder, familial, with associated myeloid malignancy	Q01196

KEGG DISEASE (9)

KEGG	disease name	UniProt
H00036	Osteosarcoma	P08684 (marker)
H00024	Prostate cancer	P11308 (related)
H00035	Ewing's sarcoma	P11308 (related)
H01205	Coumarin resistance	P11712 (related)
H01171	Poor drug metabolism (PM)	P33261 (related)
H00001	Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia)	Q01196 (related) Q01196 (marker)
H00003	Acute myeloid leukemia (AML)	Q01196 (related) Q01196 (marker) Q13951 (marker)
H00004	Chronic myeloid leukemia (CML)	Q01196 (related)
H00978	Thrombocytopenia (THC)	Q01196 (related)