UCSF

ZINC00009064

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 25 No

Popular Name: 1-(3,4-dihydroxybenzoyl)-6,7-dihydroxy-isoquinoline-3-carboxylic 1-(3,4-dihydroxybenzoyl)-6,7-dih…

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Download: MOL2 SDF SMILES Flexibase

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) 1.81 -5.84 -53.27 4 8 -1 151 340.267 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IBP1-1-E Insulin-like Growth Factor Binding Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.46 Binding ≤ 10μM
IBP2-1-E Insulin-like Growth Factor Binding Protein 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.49 Binding ≤ 10μM
IBP3-1-E Insulin-like Growth Factor Binding Protein 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.46 Binding ≤ 10μM
IBP4-1-E Insulin-like Growth Factor Binding Protein 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.50 Binding ≤ 10μM
IBP5-1-E Insulin-like Growth Factor Binding Protein 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.46 Binding ≤ 10μM
IBP6-1-E Insulin-like Growth Factor Binding Protein 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 24 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IBP1_HUMAN P08833 Insulin-like Growth Factor Binding Protein 1, Human 5.07 0.46 Binding ≤ 1μM
IBP2_HUMAN P18065 Insulin-like Growth Factor Binding Protein 2, Human 2.07 0.49 Binding ≤ 1μM
IBP3_HUMAN P17936 Insulin-like Growth Factor Binding Protein 3, Human 5.6 0.46 Binding ≤ 1μM
IBP4_HUMAN P22692 Insulin-like Growth Factor Binding Protein 4, Human 1.04 0.50 Binding ≤ 1μM
IBP5_HUMAN P24593 Insulin-like Growth Factor Binding Protein 5, Human 5.2 0.46 Binding ≤ 1μM
IBP6_HUMAN P24592 Insulin-like Growth Factor Binding Protein 6, Human 23.65 0.43 Binding ≤ 1μM
IBP1_HUMAN P08833 Insulin-like Growth Factor Binding Protein 1, Human 5.07 0.46 Binding ≤ 10μM
IBP2_HUMAN P18065 Insulin-like Growth Factor Binding Protein 2, Human 2.07 0.49 Binding ≤ 10μM
IBP3_HUMAN P17936 Insulin-like Growth Factor Binding Protein 3, Human 5.6 0.46 Binding ≤ 10μM
IBP4_HUMAN P22692 Insulin-like Growth Factor Binding Protein 4, Human 1.04 0.50 Binding ≤ 10μM
IBP5_HUMAN P24593 Insulin-like Growth Factor Binding Protein 5, Human 5.2 0.46 Binding ≤ 10μM
IBP6_HUMAN P24592 Insulin-like Growth Factor Binding Protein 6, Human 23.65 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ATF4 activates genes
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l

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

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