UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14556041
14556041
25757731
25757731
43308011
43308011
12494830
12494830
12494942
12494942

Draw Identity 99% 90% 80% 70%

Popular Name: myo-Inositol1,3,4,6-tetrakis-phosphateammoniumsalt myo-Inositol1,3,4,6-tetrakis-pho…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
Z50587-2-O Homo Sapiens (cluster #2 Of 9), Other Other 3900 0.27 Functional ≤ 10μM
Z50592-2-O Oryctolagus Cuniculus (cluster #2 Of 8), Other Other 9670 0.25 Functional ≤ 10μM
Z80471-1-O SH-SY5 (Bone Marrow Neuroblastoma Cells) (cluster #1 Of 3), Other Other 77 0.36 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.07 -9.46 -434.04 5 18 -5 322 495.032 8 ↓
Mid Mid (pH 6-8) -5.07 -6.03 -993.35 2 18 -8 330 492.008 8 ↓
Mid Mid (pH 6-8) -5.07 -7.17 -794.92 3 18 -7 327 493.016 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: myo-Inositol1,3,4,6-tetrakis-phosphateammoniumsalt myo-Inositol1,3,4,6-tetrakis-pho…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
Z50587-2-O Homo Sapiens (cluster #2 Of 9), Other Other 3900 0.27 Functional ≤ 10μM
Z50592-2-O Oryctolagus Cuniculus (cluster #2 Of 8), Other Other 9670 0.25 Functional ≤ 10μM
Z80471-1-O SH-SY5 (Bone Marrow Neuroblastoma Cells) (cluster #1 Of 3), Other Other 77 0.36 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.07 -9.59 -433.57 5 18 -5 322 495.032 8 ↓
Mid Mid (pH 6-8) -5.07 -7.3 -786.57 3 18 -7 327 493.016 8 ↓
Mid Mid (pH 6-8) -5.07 -6.16 -991.09 2 18 -8 330 492.008 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: myo-Inositol1,3,4,6-tetrakis-phosphateammoniumsalt myo-Inositol1,3,4,6-tetrakis-pho…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
Z50587-2-O Homo Sapiens (cluster #2 Of 9), Other Other 3900 0.27 Functional ≤ 10μM
Z50592-2-O Oryctolagus Cuniculus (cluster #2 Of 8), Other Other 9670 0.25 Functional ≤ 10μM
Z80471-1-O SH-SY5 (Bone Marrow Neuroblastoma Cells) (cluster #1 Of 3), Other Other 77 0.36 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.07 -9.91 -438.18 5 18 -5 322 495.032 8 ↓
Mid Mid (pH 6-8) -5.07 -7.59 -789.92 3 18 -7 327 493.016 8 ↓
Lo Low (pH 4.5-6) -5.07 -11.06 -288.63 6 18 -4 319 496.04 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: myo-Inositol1,3,4,6-tetrakis-phosphateammoniumsalt myo-Inositol1,3,4,6-tetrakis-pho…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
Z50587-2-O Homo Sapiens (cluster #2 Of 9), Other Other 3900 0.27 Functional ≤ 10μM
Z50592-2-O Oryctolagus Cuniculus (cluster #2 Of 8), Other Other 9670 0.25 Functional ≤ 10μM
Z80471-1-O SH-SY5 (Bone Marrow Neuroblastoma Cells) (cluster #1 Of 3), Other Other 77 0.36 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.07 -9.72 -436.08 5 18 -5 322 495.032 8 ↓
Mid Mid (pH 6-8) -5.07 -7.43 -792.66 3 18 -7 327 493.016 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-Myo-inositol 3,4,5,6-tetrakisphosphate D-Myo-inositol 3,4,5,6-tetrakisp…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 620 0.31 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.07 -9.44 -486.93 5 18 -5 322 495.032 8 ↓
Mid Mid (pH 6-8) -5.07 -7.14 -837.45 3 18 -7 327 493.016 8 ↓
Mid Mid (pH 6-8) -5.07 -6 -1081.88 2 18 -8 330 492.008 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1D-Myo-Inositol 1,3,4,5-tetrakisphosphate 1D-Myo-Inositol 1,3,4,5-tetrakis…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.07 -9.42 -454.54 5 18 -5 322 495.032 8 ↓
Mid Mid (pH 6-8) -5.07 -7.13 -806.13 3 18 -7 327 493.016 8 ↓
Lo Low (pH 4.5-6) -5.07 -10.56 -297.37 6 18 -4 319 496.04 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Inositol 1,4,5-trisphosphate Inositol 1,4,5-trisphosphate

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And 4 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.38 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.39 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.48 Binding ≤ 10μM
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.44 Functional ≤ 10μM
Z50591-2-O Bos Taurus (cluster #2 Of 3), Other Other 10 0.47 Binding ≤ 10μM
Z50597-4-O Rattus Norvegicus (cluster #4 Of 12), Other Other 90 0.41 Functional ≤ 10μM
Z50597-4-O Rattus Norvegicus (cluster #4 Of 12), Other Other 119 0.40 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.71 -8.52 -463.16 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -8.49 -497.6 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -7.37 -637.17 3 15 -6 278 414.045 6 ↓

Analogs

12501226
12501226
12501232
12501232
12503563
12503563
13508043
13508043
14556041
14556041

Draw Identity 99% 90% 80% 70%

Popular Name: 1D-Myo-inositol 1,4,5,6-tetrakisphosphate 1D-Myo-inositol 1,4,5,6-tetrakis…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 430 0.32 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.07 -9.44 -485.21 5 18 -5 322 495.032 8 ↓
Mid Mid (pH 6-8) -5.07 -6 -1082.13 2 18 -8 330 492.008 8 ↓
Mid Mid (pH 6-8) -5.07 -7.15 -877.39 3 18 -7 327 493.016 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ins(3,4,5)P3. Ins(3,4,5)P3.

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.71 -8.49 -534.02 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -7.35 -718.88 3 15 -6 278 414.045 6 ↓
Mid Mid (pH 6-8) -4.71 -8.49 -504.9 4 15 -5 275 415.053 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S,3S,4S,5R,6R)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexyl] [(1R,2S,3S,4S,5R,6R)-2,3,6-trihy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IP3KA-1-E Inositol-trisphosphate 3-kinase A (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.30 Binding ≤ 10μM
IP3KB-1-E Inositol-trisphosphate 3-kinase B (cluster #1 Of 1), Eukaryotic Eukaryotes 3550 0.32 Binding ≤ 10μM
IP3KC-1-E Inositol 1,4,5-trisphosphate 3 Kinase C (cluster #1 Of 1), Eukaryotic Eukaryotes 3550 0.32 Binding ≤ 10μM
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
P79248-1-E Type 1 InsP3 Receptor Isoform S2 (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.45 Binding ≤ 10μM
PLCL1-1-E Inositol 1,4,5-trisphosphate Binding Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.43 Binding ≤ 10μM
Z50587-2-O Homo Sapiens (cluster #2 Of 9), Other Other 120 0.40 Functional ≤ 10μM
Z50592-2-O Oryctolagus Cuniculus (cluster #2 Of 8), Other Other 400 0.37 Functional ≤ 10μM
Z50597-4-O Rattus Norvegicus (cluster #4 Of 12), Other Other 90 0.41 Functional ≤ 10μM
Z80193-3-O L1210 (Lymphocytic Leukemia Cells) (cluster #3 Of 12), Other Other 740 0.36 Functional ≤ 10μM
Z80419-2-O RBL-1 (Basophilic Leukemia Cells) (cluster #2 Of 2), Other Other 4300 0.31 Functional ≤ 10μM
Z80471-1-O SH-SY5 (Bone Marrow Neuroblastoma Cells) (cluster #1 Of 3), Other Other 52 0.42 Functional ≤ 10μM
Z81205-1-O Lvec Cell Line (cluster #1 Of 1), Other Other 247 0.39 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.71 -7.85 -481.15 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -7.85 -481.58 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -7.85 -450.13 4 15 -5 275 415.053 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-myo-Inositol-1,4,5-triphosphate (sodium salt) D-myo-Inositol-1,4,5-triphosphat…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IP3KA-1-E Inositol-trisphosphate 3-kinase A (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.30 Binding ≤ 10μM
IP3KB-1-E Inositol-trisphosphate 3-kinase B (cluster #1 Of 1), Eukaryotic Eukaryotes 3550 0.32 Binding ≤ 10μM
IP3KC-1-E Inositol 1,4,5-trisphosphate 3 Kinase C (cluster #1 Of 1), Eukaryotic Eukaryotes 3550 0.32 Binding ≤ 10μM
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
P79248-1-E Type 1 InsP3 Receptor Isoform S2 (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.45 Binding ≤ 10μM
PLCL1-1-E Inositol 1,4,5-trisphosphate Binding Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.43 Binding ≤ 10μM
Z50587-2-O Homo Sapiens (cluster #2 Of 9), Other Other 120 0.40 Functional ≤ 10μM
Z50592-2-O Oryctolagus Cuniculus (cluster #2 Of 8), Other Other 400 0.37 Functional ≤ 10μM
Z50597-4-O Rattus Norvegicus (cluster #4 Of 12), Other Other 90 0.41 Functional ≤ 10μM
Z80193-3-O L1210 (Lymphocytic Leukemia Cells) (cluster #3 Of 12), Other Other 740 0.36 Functional ≤ 10μM
Z80419-2-O RBL-1 (Basophilic Leukemia Cells) (cluster #2 Of 2), Other Other 4300 0.31 Functional ≤ 10μM
Z80471-1-O SH-SY5 (Bone Marrow Neuroblastoma Cells) (cluster #1 Of 3), Other Other 52 0.42 Functional ≤ 10μM
Z81205-1-O Lvec Cell Line (cluster #1 Of 1), Other Other 247 0.39 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.71 -7.28 -483.55 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -7.28 -484.19 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -7.28 -448.71 4 15 -5 275 415.053 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-myo-Inositol-2,5,6-triphosphate (sodium salt) D-myo-Inositol-2,5,6-triphosphat…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IP3KA-1-E Inositol-trisphosphate 3-kinase A (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.30 Binding ≤ 10μM
IP3KB-1-E Inositol-trisphosphate 3-kinase B (cluster #1 Of 1), Eukaryotic Eukaryotes 3550 0.32 Binding ≤ 10μM
IP3KC-1-E Inositol 1,4,5-trisphosphate 3 Kinase C (cluster #1 Of 1), Eukaryotic Eukaryotes 3550 0.32 Binding ≤ 10μM
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
P79248-1-E Type 1 InsP3 Receptor Isoform S2 (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.45 Binding ≤ 10μM
PLCL1-1-E Inositol 1,4,5-trisphosphate Binding Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.43 Binding ≤ 10μM
Z50587-2-O Homo Sapiens (cluster #2 Of 9), Other Other 120 0.40 Functional ≤ 10μM
Z50592-2-O Oryctolagus Cuniculus (cluster #2 Of 8), Other Other 400 0.37 Functional ≤ 10μM
Z50597-4-O Rattus Norvegicus (cluster #4 Of 12), Other Other 90 0.41 Functional ≤ 10μM
Z80193-3-O L1210 (Lymphocytic Leukemia Cells) (cluster #3 Of 12), Other Other 740 0.36 Functional ≤ 10μM
Z80419-2-O RBL-1 (Basophilic Leukemia Cells) (cluster #2 Of 2), Other Other 4300 0.31 Functional ≤ 10μM
Z80471-1-O SH-SY5 (Bone Marrow Neuroblastoma Cells) (cluster #1 Of 3), Other Other 52 0.42 Functional ≤ 10μM
Z81205-1-O Lvec Cell Line (cluster #1 Of 1), Other Other 247 0.39 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.71 -7.82 -466.23 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -7.82 -447.76 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -7.82 -484.1 4 15 -5 275 415.053 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-myo-Inositol1,3,4-Trisphosphate,HexapotassiumSalt D-myo-Inositol1,3,4-Trisphosphat…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IP3KA-1-E Inositol-trisphosphate 3-kinase A (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.30 Binding ≤ 10μM
IP3KB-1-E Inositol-trisphosphate 3-kinase B (cluster #1 Of 1), Eukaryotic Eukaryotes 3550 0.32 Binding ≤ 10μM
IP3KC-1-E Inositol 1,4,5-trisphosphate 3 Kinase C (cluster #1 Of 1), Eukaryotic Eukaryotes 3550 0.32 Binding ≤ 10μM
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR1-1-E Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR2-1-E Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
P79248-1-E Type 1 InsP3 Receptor Isoform S2 (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.45 Binding ≤ 10μM
PLCL1-1-E Inositol 1,4,5-trisphosphate Binding Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.43 Binding ≤ 10μM
Z50587-2-O Homo Sapiens (cluster #2 Of 9), Other Other 120 0.40 Functional ≤ 10μM
Z50592-2-O Oryctolagus Cuniculus (cluster #2 Of 8), Other Other 400 0.37 Functional ≤ 10μM
Z50597-4-O Rattus Norvegicus (cluster #4 Of 12), Other Other 90 0.41 Functional ≤ 10μM
Z80193-3-O L1210 (Lymphocytic Leukemia Cells) (cluster #3 Of 12), Other Other 740 0.36 Functional ≤ 10μM
Z80419-2-O RBL-1 (Basophilic Leukemia Cells) (cluster #2 Of 2), Other Other 4300 0.31 Functional ≤ 10μM
Z80471-1-O SH-SY5 (Bone Marrow Neuroblastoma Cells) (cluster #1 Of 3), Other Other 52 0.42 Functional ≤ 10μM
Z81205-1-O Lvec Cell Line (cluster #1 Of 1), Other Other 247 0.39 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.71 -8.3 -466.15 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -8.3 -448.27 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -7.16 -627.03 3 15 -6 278 414.045 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-myo-Inositol-2,3,5,6-tetraphosphate (sodium salt) D-myo-Inositol-2,3,5,6-tetraphos…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 598 0.31 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.07 -9.53 -435.18 5 18 -5 322 495.032 8 ↓
Lo Low (pH 4.5-6) -5.07 -10.64 -285.79 6 18 -4 319 496.04 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-myo-Inositol-1,2,4,5-tetraphosphate (sodium salt) D-myo-Inositol-1,2,4,5-tetraphos…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 13 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.07 -9.59 -437.11 5 18 -5 322 495.032 8 ↓
Lo Low (pH 4.5-6) -5.07 -10.64 -285.97 6 18 -4 319 496.04 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-myo-Inositol-1,4,5-triphosphate (sodium salt) D-myo-Inositol-1,4,5-triphosphat…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ITPR3-1-E Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.32 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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.71 -7.72 -461.99 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -6.58 -637 3 15 -6 278 414.045 6 ↓
Mid Mid (pH 6-8) -4.71 -7.72 -497.38 4 15 -5 275 415.053 6 ↓

Parameters Provided:

target.name = ITPR3-1-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 'ITPR3-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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