ZINC 12

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)	3.81	7.88	-53.2	0	7	-1	107	374.423	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.74	7.59	-18.43	1	7	0	108	375.431	4	↓ MOL2 SDF SMILES Flexibase

193791

Analogs

475636
4951251
5392779
6707041

Draw Identity 99% 90% 80% 70%

Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-2-E	Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic	Eukaryotes	470	0.40	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)	3.88	7.19	-49.32	0	4	-1	61	329.426	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.81	7.42	-14.05	1	4	0	62	330.434	3	↓ MOL2 SDF SMILES Flexibase

345355

Analogs

2580311
2580312
38812520

Draw Identity 99% 90% 80% 70%

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 15 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	5770	0.46	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)	1.18	6.2	-49.36	0	6	-1	103	222.176	5	↓ MOL2 SDF SMILES Flexibase

475636

Analogs

5392779
6707041
193791

Draw Identity 99% 90% 80% 70%

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-2-E	Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic	Eukaryotes	76	0.43	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)	5.25	8.1	-13.95	1	4	0	62	344.461	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.33	7.86	-49.38	0	4	-1	61	343.453	4	↓ MOL2 SDF SMILES Flexibase

19529

Analogs

13776384
33995321
19526

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	330	0.57	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)	-0.33	-2	-36.65	3	4	0	84	262.092	4	↓ MOL2 SDF SMILES Flexibase

13776384

Analogs

33995321
19526
19529

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	330	0.57	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)	-0.33	4.01	-36.66	3	4	0	85	262.092	4	↓ MOL2 SDF SMILES Flexibase

28260029

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

AKOS (make-on-demand)
- AKOS002392850

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	950	0.53	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)	1.43	8.5	-44.75	0	4	-1	74	260.052	4	↓ MOL2 SDF SMILES Flexibase

3883923

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 23 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	1900	0.47	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)	2.79	7.17	-42.16	0	4	-1	66	274.079	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.05	3.19	-13.63	0	4	0	60	275.087	5	↓ MOL2 SDF SMILES Flexibase

2566916

Analogs

6092539

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	500	0.52	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)	-1.68	-1.2	-41.39	3	7	0	130	238.199	5	↓ MOL2 SDF SMILES Flexibase

13800658

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 21 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	3000	0.52	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)	0.82	8.04	-46.28	0	4	-1	74	225.607	4	↓ MOL2 SDF SMILES Flexibase

13803770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

UORSY BB Make-on-demand
- BBV-223106

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	3300	0.45	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)	1.76	6.32	-42.26	0	4	-1	66	241.169	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.02	6.31	-13.82	0	4	0	60	242.177	5	↓ MOL2 SDF SMILES Flexibase

4771521

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	1900	0.50	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)	2.16	6.71	-46.02	0	4	-1	66	239.634	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.42	7.98	-13.77	0	4	0	60	240.642	5	↓ MOL2 SDF SMILES Flexibase

13803780

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

AKOS (make-on-demand)
- AKOS002392784

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	1700	0.50	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)	1.20	8.62	-46.36	0	4	-1	74	239.634	4	↓ MOL2 SDF SMILES Flexibase

6092539

Analogs

2566916

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	900	0.50	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)	-1.68	-1.2	-42.02	3	7	0	130	238.199	5	↓ MOL2 SDF SMILES Flexibase

13803772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

UORSY BB Make-on-demand
- BBV-223136

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	2600	0.46	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)	2.28	7.94	-37.7	0	4	-1	66	257.624	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.53	6.76	-13.16	0	4	0	60	258.632	5	↓ MOL2 SDF SMILES Flexibase

4638255

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 24 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	1900	0.50	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	6.82	-43.29	4	-1	66	284.085	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.76	6.96	-42.01	4	-1	66	284.085	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.57	1.06	-14.29	4	0	60	285.093	5	↓ MOL2 SDF SMILES Flexibase

13803767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.51	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)	1.65	7.45	-42.21	0	4	-1	66	223.179	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.90	6.27	-17.3	0	4	0	60	224.187	5	↓ MOL2 SDF SMILES Flexibase

4243783

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 10 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	2100	0.50	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)	2.29	6.81	-45.9	0	4	-1	66	284.085	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.55	6.81	-16.35	0	4	0	60	285.093	5	↓ MOL2 SDF SMILES Flexibase

13776369

Analogs

1514688
4951251
703773

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Scientific Exchange (make on demand)
- X-053145

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-2-E	Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic	Eukaryotes	56	0.44	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)	4.56	7.71	-45.69	0	4	-1	61	363.871	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.49	7.94	-14.54	1	4	0	62	364.879	3	↓ MOL2 SDF SMILES Flexibase

13776362

Analogs

6145349

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-2-E	Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic	Eukaryotes	2680	0.46	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)	2.09	5.87	-52.87	0	7	-1	112	233.159	3	↓ MOL2 SDF SMILES Flexibase

3285122

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-2-E	Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic	Eukaryotes	240	0.39	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)	4.86	6.72	-15.49	1	5	0	72	360.46	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.94	6.49	-48.54	0	5	-1	70	359.452	5	↓ MOL2 SDF SMILES Flexibase

3267994

Analogs

33933542
36180248

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	1100	0.56	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)	1.48	5.38	-44.76	0	3	-1	57	211.143	3	↓ MOL2 SDF SMILES Flexibase

2383012

Analogs

33884549
36179835

Draw Identity 99% 90% 80% 70%

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
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	900	0.56	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)	2.51	0.99	-44.08	0	3	-1	57	244.053	3	↓ MOL2 SDF SMILES Flexibase

346173

Analogs

2579919
2579928
2580272
2580273
2580274

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 12 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	900	0.56	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)	2.53	0.9	-44.4	0	3	-1	57	246.069	4	↓ MOL2 SDF SMILES Flexibase

22202

Analogs

22203
2539856
26743054

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	6900	0.45	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)	3.01	1.26	-44.14	0	3	-1	57	260.096	4	↓ MOL2 SDF SMILES Flexibase

2539856

Analogs

22202
22203

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KMO-1-E	Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic	Eukaryotes	6900	0.45	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)	3.01	7.11	-44.09	0	3	-1	57	260.096	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = KMO_RAT
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 'KMO\\_RAT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=KMO_RAT&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": "KMO_RAT"        

    });
</script>