Note Type	Comments	Provided By
ALOGPS_SOLUBILITY	1.04e+00 g/l	DrugBank-approved
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	99%	Fluorochem
Therapy	benzodiazepine antagonist	SMDC Iconix
Patent Database Links	EP1374952; EP1378267; EP1749525; EP1785145; US2006122219	ChEBI
Target	GABA Receptor	Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT	NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01035f	NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT	SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01035f	NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRA1-1-E	GABA Receptor Alpha-1 Subunit (cluster #1 Of 8), Eukaryotic	Eukaryotes	106	0.44	Binding ≤ 10μM
GBRA2-1-E	GABA Receptor Alpha-2 Subunit (cluster #1 Of 8), Eukaryotic	Eukaryotes	6	0.52	Binding ≤ 10μM
GBRA3-1-E	GABA Receptor Alpha-3 Subunit (cluster #1 Of 8), Eukaryotic	Eukaryotes	8	0.52	Binding ≤ 10μM
GBRA4-1-E	GABA Receptor Alpha-4 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	2	0.55	Binding ≤ 10μM
GBRA5-1-E	GABA Receptor Alpha-5 Subunit (cluster #1 Of 8), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
GBRA6-2-E	GABA Receptor Alpha-6 Subunit (cluster #2 Of 8), Eukaryotic	Eukaryotes	148	0.43	Binding ≤ 10μM
GBRB1-1-E	GABA Receptor Beta-1 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
GBRB2-1-E	GABA Receptor Beta-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	94	0.45	Binding ≤ 10μM
GBRB3-1-E	GABA Receptor Beta-3 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	148	0.43	Binding ≤ 10μM
GBRD-1-E	GABA Receptor Delta Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
GBRE-1-E	GABA Receptor Epsilon Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
GBRG1-1-E	GABA Receptor Gamma-1 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
GBRG2-1-E	GABA Receptor Gamma-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
GBRG3-2-E	GABA Receptor Gamma-3 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
GBRP-1-E	GABA Receptor Pi Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
GBRT-2-E	GABA Receptor Theta Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
Z104301-1-O	GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other	Other	58	0.46	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRA1_HUMAN	P14867	GABA Receptor Alpha-1 Subunit, Human	0.8	0.58	Binding ≤ 1μM
GBRA1_BOVIN	P08219	GABA Receptor Alpha-1 Subunit, Bovin	0.1	0.64	Binding ≤ 1μM
GBRA1_RAT	P62813	GABA Receptor Alpha-1 Subunit, Rat	0.5	0.59	Binding ≤ 1μM
GBRA2_BOVIN	P10063	GABA Receptor Alpha-2 Subunit, Bovin	0.1	0.64	Binding ≤ 1μM
GBRA2_HUMAN	P47869	GABA Receptor Alpha-2 Subunit, Human	0.9	0.58	Binding ≤ 1μM
GBRA3_BOVIN	P10064	GABA Receptor Alpha-3 Subunit, Bovin	0.1	0.64	Binding ≤ 1μM
GBRA3_RAT	P20236	GABA Receptor Alpha-3 Subunit, Rat	0.6	0.59	Binding ≤ 1μM
GBRA3_HUMAN	P34903	GABA Receptor Alpha-3 Subunit, Human	0.9	0.58	Binding ≤ 1μM
GBRA4_RAT	P28471	GABA Receptor Alpha-4 Subunit, Rat	0.6	0.59	Binding ≤ 1μM
GBRA4_BOVIN	P20237	GABA Receptor Alpha-4 Subunit, Bovin	0.1	0.64	Binding ≤ 1μM
GBRA4_HUMAN	P48169	GABA Receptor Alpha-4 Subunit, Human	0.9	0.58	Binding ≤ 1μM
GBRA5_HUMAN	P31644	GABA Receptor Alpha-5 Subunit, Human	0.6	0.59	Binding ≤ 1μM
GBRA5_RAT	P19969	GABA Receptor Alpha-5 Subunit, Rat	0.5	0.59	Binding ≤ 1μM
GBRA6_RAT	P30191	GABA Receptor Alpha-6 Subunit, Rat	0.6	0.59	Binding ≤ 1μM
GBRA6_HUMAN	Q16445	GABA Receptor Alpha-6 Subunit, Human	0.9	0.58	Binding ≤ 1μM
GBRB1_BOVIN	P08220	GABA Receptor Beta-1 Subunit, Bovin	0.1	0.64	Binding ≤ 1μM
GBRB1_HUMAN	P18505	GABA Receptor Beta-1 Subunit, Human	0.9	0.58	Binding ≤ 1μM
GBRB2_RAT	P63138	GABA Receptor Beta-2 Subunit, Rat	0.5	0.59	Binding ≤ 1μM
GBRB2_HUMAN	P47870	GABA Receptor Beta-2 Subunit, Human	0.9	0.58	Binding ≤ 1μM
GBRB3_HUMAN	P28472	GABA Receptor Beta-3 Subunit, Human	0.6	0.59	Binding ≤ 1μM
GBRD_HUMAN	O14764	GABA Receptor Delta Subunit, Human	0.9	0.58	Binding ≤ 1μM
GBRE_HUMAN	P78334	GABA Receptor Epsilon Subunit, Human	0.9	0.58	Binding ≤ 1μM
GBRG1_HUMAN	Q8N1C3	GABA Receptor Gamma-1 Subunit, Human	0.9	0.58	Binding ≤ 1μM
GBRG2_BOVIN	P22300	GABA Receptor Gamma-2 Subunit, Bovin	0.1	0.64	Binding ≤ 1μM
GBRG2_RAT	P18508	GABA Receptor Gamma-2 Subunit, Rat	0.5	0.59	Binding ≤ 1μM
GBRG2_HUMAN	P18507	GABA Receptor Gamma-2 Subunit, Human	0.6	0.59	Binding ≤ 1μM
GBRG3_HUMAN	Q99928	GABA Receptor Gamma-3 Subunit, Human	0.9	0.58	Binding ≤ 1μM
GBRP_HUMAN	O00591	GABA Receptor Pi Subunit, Human	0.9	0.58	Binding ≤ 1μM
GBRT_HUMAN	Q9UN88	GABA Receptor Theta Subunit, Human	0.9	0.58	Binding ≤ 1μM
Z104301	Z104301	GABA-A Receptor; Anion Channel	0.8	0.58	Binding ≤ 1μM
GBRA1_BOVIN	P08219	GABA Receptor Alpha-1 Subunit, Bovin	0.1	0.64	Binding ≤ 10μM
GBRA1_RAT	P62813	GABA Receptor Alpha-1 Subunit, Rat	0.5	0.59	Binding ≤ 10μM
GBRA1_HUMAN	P14867	GABA Receptor Alpha-1 Subunit, Human	0.8	0.58	Binding ≤ 10μM
GBRA2_BOVIN	P10063	GABA Receptor Alpha-2 Subunit, Bovin	0.1	0.64	Binding ≤ 10μM
GBRA2_HUMAN	P47869	GABA Receptor Alpha-2 Subunit, Human	0.9	0.58	Binding ≤ 10μM
GBRA3_RAT	P20236	GABA Receptor Alpha-3 Subunit, Rat	0.6	0.59	Binding ≤ 10μM
GBRA3_HUMAN	P34903	GABA Receptor Alpha-3 Subunit, Human	0.9	0.58	Binding ≤ 10μM
GBRA3_BOVIN	P10064	GABA Receptor Alpha-3 Subunit, Bovin	0.1	0.64	Binding ≤ 10μM
GBRA4_RAT	P28471	GABA Receptor Alpha-4 Subunit, Rat	0.6	0.59	Binding ≤ 10μM
GBRA4_BOVIN	P20237	GABA Receptor Alpha-4 Subunit, Bovin	0.1	0.64	Binding ≤ 10μM
GBRA4_HUMAN	P48169	GABA Receptor Alpha-4 Subunit, Human	0.9	0.58	Binding ≤ 10μM
GBRA5_RAT	P19969	GABA Receptor Alpha-5 Subunit, Rat	0.5	0.59	Binding ≤ 10μM
GBRA5_HUMAN	P31644	GABA Receptor Alpha-5 Subunit, Human	0.6	0.59	Binding ≤ 10μM
GBRA6_HUMAN	Q16445	GABA Receptor Alpha-6 Subunit, Human	0.9	0.58	Binding ≤ 10μM
GBRA6_RAT	P30191	GABA Receptor Alpha-6 Subunit, Rat	0.6	0.59	Binding ≤ 10μM
GBRB1_BOVIN	P08220	GABA Receptor Beta-1 Subunit, Bovin	0.1	0.64	Binding ≤ 10μM
GBRB1_HUMAN	P18505	GABA Receptor Beta-1 Subunit, Human	0.9	0.58	Binding ≤ 10μM
GBRB2_RAT	P63138	GABA Receptor Beta-2 Subunit, Rat	0.5	0.59	Binding ≤ 10μM
GBRB2_HUMAN	P47870	GABA Receptor Beta-2 Subunit, Human	0.9	0.58	Binding ≤ 10μM
GBRB3_HUMAN	P28472	GABA Receptor Beta-3 Subunit, Human	0.6	0.59	Binding ≤ 10μM
GBRD_HUMAN	O14764	GABA Receptor Delta Subunit, Human	0.9	0.58	Binding ≤ 10μM
GBRE_HUMAN	P78334	GABA Receptor Epsilon Subunit, Human	0.9	0.58	Binding ≤ 10μM
GBRG1_HUMAN	Q8N1C3	GABA Receptor Gamma-1 Subunit, Human	0.9	0.58	Binding ≤ 10μM
GBRG2_BOVIN	P22300	GABA Receptor Gamma-2 Subunit, Bovin	0.1	0.64	Binding ≤ 10μM
GBRG2_RAT	P18508	GABA Receptor Gamma-2 Subunit, Rat	0.5	0.59	Binding ≤ 10μM
GBRG2_HUMAN	P18507	GABA Receptor Gamma-2 Subunit, Human	0.6	0.59	Binding ≤ 10μM
GBRG3_HUMAN	Q99928	GABA Receptor Gamma-3 Subunit, Human	0.9	0.58	Binding ≤ 10μM
GBRP_HUMAN	O00591	GABA Receptor Pi Subunit, Human	0.9	0.58	Binding ≤ 10μM
GBRT_HUMAN	Q9UN88	GABA Receptor Theta Subunit, Human	0.9	0.58	Binding ≤ 10μM
Z104301	Z104301	GABA-A Receptor; Anion Channel	0.8	0.58	Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
GABA A receptor activation	Bos taurus (GBRA1_BOVIN) Rattus norvegicus (GBRG2_RAT) Homo sapiens (GBRA1_HUMAN)
Ligand-gated ion channel transport	Rattus norvegicus (GBRG2_RAT) Bos taurus (GBRA1_BOVIN) Homo sapiens (GBRA1_HUMAN)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.

Synonyms (105)
Vendors (21)
Annotations (29)
Representations (1)
Notes (8)
Targets (60)
Clustered (17)
Reactome (2)
Rings (0)
Analogs (0)