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[4-(1H-Pyrrol-1-yl)phenyl]methanol

E3L057127
Internal ID: BDB057127
Activity data available Local docking-ready structure
Dock with P40337 Dock with Q15369
Structure
/e3_file/ligand_db/generated/BDB057127/BDB057127.sdf
Basic Properties
Compound ID
E3L057127
Internal ID
BDB057127
Molecular formula
C11H11NO
Molecular weight
173.215000
Exact mass
173.084064
XLogP
1.9696
TPSA
25.1600
HBA / HBD
1 / 1
Rotatable bonds
2
Heavy atoms / rings
13 / 2
Activity summary
Kd unknown 5.00000000 nM
2 activity record(s) imported
InChIKey
LQQQPLUFBVYLRE-UHFFFAOYSA-N
SMILES
OCc1ccc(-n2cccc2)cc1
Aliases
BDBM50463158 (preferred) [4-(1H-Pyrrol-1-yl)phenyl]methanol (source_name) BDBM50463158 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P40337 VHL
von Hippel-Lindau disease tumor suppressor		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50463158 medium
; target=von Hippel-Lindau disease tumor suppressor
Q15369 ELOC;TCEB1
Elongin-C		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50463158 medium
; target=Elongin-C
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50463158 Open - 10.1021/acs.jmedchem.2c01882; 10.1021/acs.jmedchem.8b00842 PMID: 36821822; 30040896
PubChem CID599478 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready OCc1ccc(-n2cccc2)cc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB057127/BDB057127.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB057127/BDB057127.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB057127/BDB057127.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB057127/BDB057127.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB057127/BDB057127.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Elongin-C
Q15369
E3 ligase component 		BindingDB:BDBM50463158 Kd 5 nM Very high DOI: 10.1021/acs.jmedchem.8b00842
PMID: 30040896 		1
von Hippel-Lindau disease tumor suppressor
P40337
E3 ligase component 		BindingDB:BDBM50463158 Kd 5000000 nM Low DOI: 10.1021/acs.jmedchem.2c01882
PMID: 36821822 		1