ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

22448983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: SKI-606 SKI-606

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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

2047743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: PD173955 PD173955

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

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	2	0.42	Binding ≤ 10μM
ALK-1-E	ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.27	Binding ≤ 10μM
BCR-1-E	Breakpoint Cluster Region Protein (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.42	Binding ≤ 10μM
FGFR1-1-E	Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1250	0.28	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.40	Binding ≤ 10μM
NPM-1-E	Nucleophosmin (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.27	Binding ≤ 10μM
PGFRA-1-E	Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	1660	0.28	Binding ≤ 10μM
PGFRB-1-E	Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	1660	0.28	Binding ≤ 10μM
SRC-1-E	Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic	Eukaryotes	25	0.37	Binding ≤ 10μM
Z80036-1-O	BaF3 (IL-3-dependent Pro-B-cells) (cluster #1 Of 3), Other	Other	2000	0.28	Functional ≤ 10μM
Z80152-1-O	HCT-8 (Ileocecal Adenocarcinoma) (cluster #1 Of 2), Other	Other	2520	0.27	Functional ≤ 10μM
Z80166-1-O	HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other	Other	810	0.29	Functional ≤ 10μM
Z81331-1-O	SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other	Other	980	0.29	Functional ≤ 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)	5.71	14.64	-13.18	1	5	0	60	443.359	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = NPM-1-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'NPM-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=NPM-1-E&target.type=B10&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', {
        "target.name": "NPM-1-E",        
        "target.type": "B10"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Vendors

Excenen

Sigma Aldrich (Building Blocks)

Toronto Research Chemicals

Activity (Go SEA)

Physical Representations

Analogs

Vendors

AK Scientific

Capot Chemical

Molport BB

Ryan Scientific BB

Activity (Go SEA)

Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results