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Kdoam-1

E3L010303
Internal ID: BDB010303
Activity data available Local docking-ready structure
Dock with P41229
Structure
/e3_file/ligand_db/generated/BDB010303/BDB010303.sdf
Basic Properties
Compound ID
E3L010303
Internal ID
BDB010303
Molecular formula
C11H15N3O2
Molecular weight
221.260000
Exact mass
221.116427
XLogP
0.1850
TPSA
65.4600
HBA / HBD
4 / 2
Rotatable bonds
3
Heavy atoms / rings
16 / 2
Activity summary
IC50 unknown 980.00000000 nM
3 activity record(s) imported
InChIKey
VRQYPXABZCTNAE-UHFFFAOYSA-N
SMILES
O=C(O)c1ccnc(CN2CCNCC2)c1
Aliases
BDBM223317 (preferred) Kdoam-1 (source_name) BDBM223317 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P41229 KDM5C;DXS1272E;JARID1C;SMCX;XE169
Lysine-specific demethylase 5C		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM223317 medium
; target=Lysine-specific demethylase 5C
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM223317 Open - 10.1016/j.chembiol.2017.02.006; 10.7270/Q2NK3K7P PMID: 28262558; 32883639
PubChem CID126961671 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C(O)c1ccnc(CN2CCNCC2)c1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB010303/BDB010303.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB010303/BDB010303.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB010303/BDB010303.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB010303/BDB010303.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB010303/BDB010303.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Lysine-specific demethylase 5C
P41229
E3 ligase component 		BindingDB:BDBM223317 IC50 980 nM Moderate DOI: 10.7270/Q2NK3K7P
PMID: 32883639 		1
Lysine-specific demethylase 5C
P41229
E3 ligase component 		BindingDB:BDBM223317 IC50 1000 nM Moderate DOI: 10.1016/j.chembiol.2017.02.006
PMID: 28262558 		1
Lysine-specific demethylase 5C
P41229
E3 ligase component 		BindingDB:BDBM223317 IC50 980 nM Moderate DOI: 10.1016/j.chembiol.2017.02.006
PMID: 28262558 		1