ZINC 12

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Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

22448983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: SKI-606 SKI-606

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ABL1-1-E	Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic	Eukaryotes	20	0.30	Binding ≤ 10μM
ABL2-1-E	Tyrosine-protein Kinase ABL2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.35	Binding ≤ 10μM
ACK1-1-E	Tyrosine Kinase Non-receptor Protein 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.33	Binding ≤ 10μM
ALK-1-E	ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.26	Binding ≤ 10μM
BCR-1-E	Breakpoint Cluster Region Protein (cluster #1 Of 1), Eukaryotic	Eukaryotes	20	0.30	Binding ≤ 10μM
BLK-1-E	Tyrosine-protein Kinase BLK (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.32	Binding ≤ 10μM
BMX-1-E	Tyrosine-protein Kinase BMX (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.31	Binding ≤ 10μM
BTK-1-E	Tyrosine-protein Kinase BTK (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.33	Binding ≤ 10μM
CSK-1-E	Tyrosine-protein Kinase CSK (cluster #1 Of 1), Eukaryotic	Eukaryotes	63	0.28	Binding ≤ 10μM
EGFR-1-E	Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	53	0.28	Binding ≤ 10μM
EPHB2-1-E	Ephrin Type-B Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.31	Binding ≤ 10μM
EPHB4-1-E	Ephrin Type-B Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.32	Binding ≤ 10μM
FAK1-1-E	Focal Adhesion Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	538	0.24	Binding ≤ 10μM
FAK2-1-E	Protein-tyrosine Kinase 2-beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	134	0.27	Binding ≤ 10μM
FER-1-E	Tyrosine-protein Kinase FER (cluster #1 Of 1), Eukaryotic	Eukaryotes	490	0.25	Binding ≤ 10μM
FES-1-E	Tyrosine-protein Kinase FES (cluster #1 Of 1), Eukaryotic	Eukaryotes	358	0.25	Binding ≤ 10μM
FGR-1-E	Tyrosine-protein Kinase FGR (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.35	Binding ≤ 10μM
FRK-1-E	Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.34	Binding ≤ 10μM
FYN-1-E	Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic	Eukaryotes	2	0.34	Binding ≤ 10μM
HCK-1-E	Tyrosine-protein Kinase HCK (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.33	Binding ≤ 10μM
IRAK4-1-E	Interleukin-1 Receptor-associated Kinase 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	574	0.24	Binding ≤ 10μM
KCC1D-1-E	CaM Kinase I Delta (cluster #1 Of 2), Eukaryotic	Eukaryotes	92	0.27	Binding ≤ 10μM
KCC2G-1-E	CaM Kinase II Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	184	0.26	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	6313	0.20	Binding ≤ 10μM
KSYK-1-E	Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic	Eukaryotes	52	0.28	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	1	0.35	Binding ≤ 10μM
LYN-1-E	Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.31	Binding ≤ 10μM
M4K2-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	10	0.31	Binding ≤ 10μM
M4K5-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
MINK1-1-E	Misshapen-like Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	22	0.30	Binding ≤ 10μM
NPM-1-E	Nucleophosmin (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.26	Binding ≤ 10μM
NTRK1-1-E	Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic	Eukaryotes	22	0.30	Binding ≤ 10μM
NTRK2-1-E	Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	27	0.29	Binding ≤ 10μM
SRC-1-E	Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic	Eukaryotes	4	0.33	Binding ≤ 10μM
STK10-1-E	Serine/threonine-protein Kinase 10 (cluster #1 Of 1), Eukaryotic	Eukaryotes	52	0.28	Binding ≤ 10μM
STK24-1-E	Serine/threonine-protein Kinase 24 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.33	Binding ≤ 10μM
STK4-1-E	Serine/threonine-protein Kinase MST1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	191	0.26	Binding ≤ 10μM
TBK1-1-E	Serine/threonine-protein Kinase TBK1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	471	0.25	Binding ≤ 10μM
TEC-1-E	Tyrosine-protein Kinase TEC (cluster #1 Of 1), Eukaryotic	Eukaryotes	282	0.25	Binding ≤ 10μM
TIE2-1-E	Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1191	0.23	Binding ≤ 10μM
TXK-1-E	Tyrosine-protein Kinase TXK (cluster #1 Of 1), Eukaryotic	Eukaryotes	40	0.29	Binding ≤ 10μM
UFO-1-E	Tyrosine-protein Kinase Receptor UFO (cluster #1 Of 1), Eukaryotic	Eukaryotes	174	0.26	Binding ≤ 10μM
YES-1-E	Tyrosine-protein Kinase YES (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ABL1-1-E	Tyrosine-protein Kinase ABL (cluster #1 Of 2), Eukaryotic	Eukaryotes	490	0.25	Functional ≤ 10μM
ABL2-1-E	Tyrosine-protein Kinase ABL2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.35	Functional ≤ 10μM
ERBB2-2-E	Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	2600	0.22	Functional ≤ 10μM
FYN-1-E	Tyrosine-protein Kinase FYN (cluster #1 Of 1), Eukaryotic	Eukaryotes	410	0.25	Functional ≤ 10μM
PGFRA-1-E	Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	4000	0.21	Functional ≤ 10μM
PGFRB-1-E	Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	4000	0.21	Functional ≤ 10μM
SRC-1-E	Tyrosine-protein Kinase SRC (cluster #1 Of 1), Eukaryotic	Eukaryotes	100	0.27	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	100	0.27	Functional ≤ 10μM
Z80036-2-O	BaF3 (IL-3-dependent Pro-B-cells) (cluster #2 Of 3), Other	Other	200	0.26	Functional ≤ 10μM
Z80166-1-O	HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other	Other	5000	0.21	Functional ≤ 10μM
Z80186-6-O	K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other	Other	20	0.30	Functional ≤ 10μM
Z80416-1-O	Rat1 (Fibroblast Cells) (cluster #1 Of 1), Other	Other	490	0.25	Functional ≤ 10μM
Z81020-7-O	HepG2 (Hepatoblastoma Cells) (cluster #7 Of 8), Other	Other	3910	0.21	Functional ≤ 10μM
Z81125-1-O	KU812 Cell Line (cluster #1 Of 1), Other	Other	5	0.32	Functional ≤ 10μM
Z81328-1-O	Src-transformed (Fibroblast Cells) (cluster #1 Of 1), Other	Other	100	0.27	Functional ≤ 10μM
ABL-1-V	Tyrosine-protein Kinase V-ABL (cluster #1 Of 1), Viral	Viruses	1	0.35	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.98	9.49	-44.8	2	8	1	84	531.464	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.98	7.02	-12.44	1	8	0	83	530.456	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.98	9.35	-46.97	2	8	1	84	531.464	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = ABL2_MOUSE
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'ABL2\\_MOUSE' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=ABL2_MOUSE&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "annotation.name": "ABL2_MOUSE"        

    });
</script>

ZINC 12

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Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

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