NPASS Natural Product

Natural Product: NPC291186

Natural Product ID:	NPC291186
Common Name:	Selenomethionine
IUPAC Name:	(2S)-2-azaniumyl-4-methylselanylbutanoate
Synonyms:	Selenomethionine
Molecular Formula:	C5H11NO2Se
Standard InCHIKey:	RJFAYQIBOAGBLC-BYPYZUCNSA-N
Standard InCHI:	InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Canonical SMILES:	C[Se]CC[C@@H](C(=O)O)N
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO1625	Ovibos moschatus	Species	Bovidae	Eukaryota	UNPD*
NPO10434	Rhodospirillum rubrum	Species	Rhodospirillaceae	Bacteria	UNPD*
NPO2055	Berberis integerrima	Species	Berberidaceae	Eukaryota	UNPD*
NPO8817	Herbertus sakuraii	Species	Herbertaceae	Eukaryota	UNPD*
NPO13017	Sarcocephalus latifolius	Species	Rubiaceae	Eukaryota	UNPD*
NPO11481	Elephantopus angustifolius	Species	Asteraceae	Eukaryota	UNPD*
NPO7103	Allium sativum	Species	Amaryllidaceae	Eukaryota	TM-MC*
NPO4177	Libocedrus decurrens	Species	Cupressaceae	Eukaryota	UNPD*
NPO7103	Allium sativum	Species	Amaryllidaceae	Eukaryota	UNPD*
NPO9952	Isoplexis sceptrum	Species	Plantaginaceae	Eukaryota	UNPD*
NPO3186	Loranthus parasiticus	Species	Loranthaceae	Eukaryota	UNPD*
NPO8146	Aniba megaphylla	Species	Lauraceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	1
Potency	8

Activity Type	# Activity
Cell Line	1
Individual Protein	3
Others	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT3171	Cell Line	V79	Cricetulus griseus	IC50	=	267000	nM	12852761
NPT53	Individual Protein	4'-phosphopantetheinyl transferase ffp	Bacillus subtilis	Potency	=	11220.2	nM	PubChem BioAssay data set
NPT5	Individual Protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency		794.3	nM	PubChem BioAssay data set
NPT1853	Individual Protein	Putative uncharacterized protein	Trypanosoma brucei brucei (strain 927/4 GUTat10.1)	Potency		1778.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		33491.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		5.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		26603.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		21131.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		21.1	nM	PubChem BioAssay data set

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC291186 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	354
0.1-0.2	20514
0.2-0.3	8330
0.3-0.4	1121
0.4-0.5	320
0.5-0.6	109
0.6-0.7	72
0.7-0.8	51
0.8-0.85	6
0.85-0.9	7
0.9-0.95	4
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC167986
0.9487	High Similarity	NPC168375
0.9487	High Similarity	NPC326992
0.9487	High Similarity	NPC121517
0.9487	High Similarity	NPC53449
0.881	High Similarity	NPC325097
0.881	High Similarity	NPC126925
0.881	High Similarity	NPC132307
0.8718	High Similarity	NPC63621
0.8605	High Similarity	NPC118459
0.8605	High Similarity	NPC327698
0.8537	High Similarity	NPC66043
0.8462	Intermediate Similarity	NPC21290
0.8462	Intermediate Similarity	NPC116709
0.8462	Intermediate Similarity	NPC272614
0.8182	Intermediate Similarity	NPC329263
0.8	Intermediate Similarity	NPC49952
0.8	Intermediate Similarity	NPC136476
0.7955	Intermediate Similarity	NPC198301
0.7872	Intermediate Similarity	NPC93888
0.7872	Intermediate Similarity	NPC170739
0.7872	Intermediate Similarity	NPC162620
0.7872	Intermediate Similarity	NPC62045
0.7872	Intermediate Similarity	NPC43204
0.7872	Intermediate Similarity	NPC84636
0.7872	Intermediate Similarity	NPC152451
0.7872	Intermediate Similarity	NPC174246
0.7872	Intermediate Similarity	NPC226027
0.7872	Intermediate Similarity	NPC193989
0.7872	Intermediate Similarity	NPC270805
0.7872	Intermediate Similarity	NPC245027
0.7826	Intermediate Similarity	NPC136159
0.7778	Intermediate Similarity	NPC208793
0.7778	Intermediate Similarity	NPC285322
0.7708	Intermediate Similarity	NPC315977
0.7674	Intermediate Similarity	NPC326212
0.7674	Intermediate Similarity	NPC237525
0.766	Intermediate Similarity	NPC153370
0.766	Intermediate Similarity	NPC93081
0.766	Intermediate Similarity	NPC140872
0.7619	Intermediate Similarity	NPC18188
0.7609	Intermediate Similarity	NPC309658
0.7609	Intermediate Similarity	NPC297220
0.7561	Intermediate Similarity	NPC9294
0.75	Intermediate Similarity	NPC328378
0.75	Intermediate Similarity	NPC112890
0.75	Intermediate Similarity	NPC324825
0.75	Intermediate Similarity	NPC316231
0.7447	Intermediate Similarity	NPC204364
0.74	Intermediate Similarity	NPC317815
0.7347	Intermediate Similarity	NPC137958
0.7347	Intermediate Similarity	NPC273330
0.7347	Intermediate Similarity	NPC125736
0.7255	Intermediate Similarity	NPC316889
0.7255	Intermediate Similarity	NPC321118
0.7234	Intermediate Similarity	NPC185755
0.7234	Intermediate Similarity	NPC198196
0.7234	Intermediate Similarity	NPC213876
0.7115	Intermediate Similarity	NPC102815
0.7115	Intermediate Similarity	NPC2801
0.7111	Intermediate Similarity	NPC326808
0.7111	Intermediate Similarity	NPC254482
0.7111	Intermediate Similarity	NPC226265
0.7111	Intermediate Similarity	NPC110533
0.7111	Intermediate Similarity	NPC219143
0.7111	Intermediate Similarity	NPC317691
0.7083	Intermediate Similarity	NPC181588
0.7059	Intermediate Similarity	NPC190184
0.7059	Intermediate Similarity	NPC197087
0.6981	Remote Similarity	NPC38463
0.6957	Remote Similarity	NPC276294
0.6923	Remote Similarity	NPC279661
0.6923	Remote Similarity	NPC322091
0.6923	Remote Similarity	NPC60672
0.6923	Remote Similarity	NPC183845
0.6863	Remote Similarity	NPC200550
0.6863	Remote Similarity	NPC155156
0.6852	Remote Similarity	NPC278209
0.6829	Remote Similarity	NPC114517
0.6809	Remote Similarity	NPC323974
0.6792	Remote Similarity	NPC327831
0.6727	Remote Similarity	NPC190385
0.6727	Remote Similarity	NPC176164
0.6727	Remote Similarity	NPC189301
0.6667	Remote Similarity	NPC126681
0.6667	Remote Similarity	NPC191136
0.6667	Remote Similarity	NPC325985
0.6667	Remote Similarity	NPC114990
0.6607	Remote Similarity	NPC254541
0.6607	Remote Similarity	NPC321468
0.6607	Remote Similarity	NPC327748
0.6607	Remote Similarity	NPC316826
0.6607	Remote Similarity	NPC317143
0.66	Remote Similarity	NPC227850
0.66	Remote Similarity	NPC327542
0.6545	Remote Similarity	NPC318260
0.6545	Remote Similarity	NPC317147
0.6531	Remote Similarity	NPC228932
0.6491	Remote Similarity	NPC321419
0.6491	Remote Similarity	NPC327170
0.6491	Remote Similarity	NPC329564
0.6481	Remote Similarity	NPC322573
0.6471	Remote Similarity	NPC286989
0.6429	Remote Similarity	NPC302003
0.6429	Remote Similarity	NPC11433
0.6429	Remote Similarity	NPC245346
0.6415	Remote Similarity	NPC329495
0.64	Remote Similarity	NPC316168
0.64	Remote Similarity	NPC118187
0.64	Remote Similarity	NPC101249
0.6346	Remote Similarity	NPC319175
0.6316	Remote Similarity	NPC320598
0.6316	Remote Similarity	NPC268927
0.6316	Remote Similarity	NPC276928
0.6316	Remote Similarity	NPC321536
0.6316	Remote Similarity	NPC64250
0.6296	Remote Similarity	NPC145235
0.6275	Remote Similarity	NPC318523
0.625	Remote Similarity	NPC107645
0.6226	Remote Similarity	NPC322946
0.6222	Remote Similarity	NPC69179
0.6207	Remote Similarity	NPC68974
0.6207	Remote Similarity	NPC143722
0.6207	Remote Similarity	NPC177191
0.62	Remote Similarity	NPC248970
0.62	Remote Similarity	NPC306238
0.619	Remote Similarity	NPC84444
0.619	Remote Similarity	NPC145217
0.6182	Remote Similarity	NPC10915
0.6154	Remote Similarity	NPC149209
0.6154	Remote Similarity	NPC17244
0.614	Remote Similarity	NPC112224
0.614	Remote Similarity	NPC93861
0.614	Remote Similarity	NPC43169
0.614	Remote Similarity	NPC327895
0.6136	Remote Similarity	NPC134570
0.6111	Remote Similarity	NPC263065
0.6111	Remote Similarity	NPC189178
0.6102	Remote Similarity	NPC322206
0.6102	Remote Similarity	NPC118429
0.6038	Remote Similarity	NPC50457
0.5965	Remote Similarity	NPC283786
0.5965	Remote Similarity	NPC82239
0.5957	Remote Similarity	NPC327250
0.5926	Remote Similarity	NPC155512
0.5926	Remote Similarity	NPC202525
0.5902	Remote Similarity	NPC226453
0.5902	Remote Similarity	NPC106216
0.5902	Remote Similarity	NPC103130
0.5902	Remote Similarity	NPC289691
0.5902	Remote Similarity	NPC88898
0.587	Remote Similarity	NPC216443
0.5818	Remote Similarity	NPC245768
0.5806	Remote Similarity	NPC325597
0.5806	Remote Similarity	NPC278881
0.5806	Remote Similarity	NPC50047
0.5806	Remote Similarity	NPC174304
0.5781	Remote Similarity	NPC81647
0.5714	Remote Similarity	NPC122768
0.5714	Remote Similarity	NPC61066
0.5714	Remote Similarity	NPC327985
0.5714	Remote Similarity	NPC174368
0.5714	Remote Similarity	NPC151140
0.5714	Remote Similarity	NPC325534
0.5714	Remote Similarity	NPC104195
0.5692	Remote Similarity	NPC133183
0.5692	Remote Similarity	NPC322274
0.5682	Remote Similarity	NPC260324
0.5652	Remote Similarity	NPC229838
0.5645	Remote Similarity	NPC315744
0.5636	Remote Similarity	NPC29950
0.5636	Remote Similarity	NPC19576
0.5625	Remote Similarity	NPC60424
0.5625	Remote Similarity	NPC196359
0.5625	Remote Similarity	NPC314221
0.5625	Remote Similarity	NPC78312
0.5625	Remote Similarity	NPC221764
0.5625	Remote Similarity	NPC118524
0.5625	Remote Similarity	NPC188231
0.5625	Remote Similarity	NPC135539
0.5625	Remote Similarity	NPC222327

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC291186 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	369
0.1-0.2	6011
0.2-0.3	1964
0.3-0.4	475
0.4-0.5	196
0.5-0.6	85
0.6-0.7	29
0.7-0.8	26
0.8-0.85	3
0.85-0.9	1
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD8805	Approved
1.0	High Similarity	NPD8804	Approved
0.881	High Similarity	NPD8798	Approved
0.8462	Intermediate Similarity	NPD8211	Approved
0.8462	Intermediate Similarity	NPD8210	Phase 3
0.8	Intermediate Similarity	NPD8801	Approved
0.7872	Intermediate Similarity	NPD9016	Clinical (unspecified phase)
0.7872	Intermediate Similarity	NPD9018	Approved
0.7872	Intermediate Similarity	NPD9017	Approved
0.7872	Intermediate Similarity	NPD9021	Approved
0.7872	Intermediate Similarity	NPD8803	Clinical (unspecified phase)
0.7872	Intermediate Similarity	NPD8624	Approved
0.7872	Intermediate Similarity	NPD8802	Approved
0.7778	Intermediate Similarity	NPD8610	Approved
0.766	Intermediate Similarity	NPD8614	Approved
0.766	Intermediate Similarity	NPD8808	Approved
0.766	Intermediate Similarity	NPD8809	Approved
0.7619	Intermediate Similarity	NPD8623	Phase 1
0.75	Intermediate Similarity	NPD9044	Approved
0.7347	Intermediate Similarity	NPD8872	Phase 3
0.7347	Intermediate Similarity	NPD8871	Approved
0.7234	Intermediate Similarity	NPD8982	Approved
0.7234	Intermediate Similarity	NPD9020	Approved
0.7111	Intermediate Similarity	NPD8214	Approved
0.7111	Intermediate Similarity	NPD8609	Approved
0.7111	Intermediate Similarity	NPD8216	Approved
0.7111	Intermediate Similarity	NPD8217	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD8215	Approved
0.7083	Intermediate Similarity	NPD8810	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD8849	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD8785	Approved
0.7059	Intermediate Similarity	NPD8851	Phase 1
0.6939	Remote Similarity	NPD8873	Approved
0.6809	Remote Similarity	NPD9019	Approved
0.6727	Remote Similarity	NPD9433	Approved
0.6727	Remote Similarity	NPD9023	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD9025	Approved
0.6667	Remote Similarity	NPD7371	Approved
0.6471	Remote Similarity	NPD8947	Approved
0.6471	Remote Similarity	NPD8946	Approved
0.6429	Remote Similarity	NPD8865	Approved
0.64	Remote Similarity	NPD8208	Clinical (unspecified phase)
0.64	Remote Similarity	NPD8209	Phase 2
0.64	Remote Similarity	NPD8866	Approved
0.64	Remote Similarity	NPD8867	Approved
0.64	Remote Similarity	NPD8850	Approved
0.6364	Remote Similarity	NPD8981	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD8980	Approved
0.6364	Remote Similarity	NPD8979	Approved
0.6226	Remote Similarity	NPD9441	Phase 2
0.62	Remote Similarity	NPD8870	Approved
0.6182	Remote Similarity	NPD8971	Approved
0.6167	Remote Similarity	NPD1151	Approved
0.6154	Remote Similarity	NPD7367	Approved
0.6154	Remote Similarity	NPD7368	Approved
0.6154	Remote Similarity	NPD9230	Discontinued
0.6154	Remote Similarity	NPD51	Approved
0.6111	Remote Similarity	NPD9204	Approved
0.6111	Remote Similarity	NPD9205	Approved
0.6102	Remote Similarity	NPD9014	Approved
0.6	Remote Similarity	NPD9419	Clinical (unspecified phase)
0.5962	Remote Similarity	NPD9213	Approved
0.5962	Remote Similarity	NPD9214	Phase 3
0.5909	Remote Similarity	NPD8800	Approved
0.5902	Remote Similarity	NPD9047	Approved
0.5902	Remote Similarity	NPD9046	Phase 3
0.5902	Remote Similarity	NPD9048	Approved
0.5902	Remote Similarity	NPD9045	Approved
0.5873	Remote Similarity	NPD886	Clinical (unspecified phase)
0.5873	Remote Similarity	NPD9231	Phase 3
0.5873	Remote Similarity	NPD1429	Clinical (unspecified phase)
0.5873	Remote Similarity	NPD9232	Phase 2
0.5873	Remote Similarity	NPD9233	Phase 3
0.5806	Remote Similarity	NPD348	Approved
0.5789	Remote Similarity	NPD9454	Approved
0.5781	Remote Similarity	NPD9452	Clinical (unspecified phase)
0.5781	Remote Similarity	NPD9451	Clinical (unspecified phase)
0.5769	Remote Similarity	NPD8972	Approved
0.5769	Remote Similarity	NPD8973	Approved
0.5741	Remote Similarity	NPD329	Discontinued
0.5738	Remote Similarity	NPD9676	Phase 3
0.5714	Remote Similarity	NPD8952	Approved
0.5686	Remote Similarity	NPD9658	Clinical (unspecified phase)
0.5636	Remote Similarity	NPD61	Approved
0.5636	Remote Similarity	NPD8846	Approved
0.5636	Remote Similarity	NPD8847	Approved
0.5625	Remote Similarity	NPD8868	Approved
0.5625	Remote Similarity	NPD9421	Phase 1

Structure

External Identifiers

PubChem CID	53262363;105024
ChEMBL	CHEMBL113178
ZINC

Physicochemical Properties

Molecular Weight:	197.00
ALogP:	-1.3209
MLogP:	1.57
XLogP:	-2.108
# Rotatable Bonds:	7
Polar Surface Area:	63.32
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	0
# Heavy Atoms:	9

Download Data

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General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs