UCSF

ZINC00119305

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 22 No

Popular Name: HTS 01037 HTS 01037

Find On: PubMed — Wikipedia — Google

CAS Number: 682741-29-3

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) 2.24 7.54 -49.29 1 6 -1 96 336.37 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-1-E Fatty Acid Binding Protein Adipocyte (cluster #1 Of 3), Eukaryotic Eukaryotes 670 0.39 Binding ≤ 10μM
FABP5-1-E Fatty Acid Binding Protein Epidermal (cluster #1 Of 2), Eukaryotic Eukaryotes 3400 0.35 Binding ≤ 10μM
FABPH-1-E Fatty Acid Binding Protein Muscle (cluster #1 Of 3), Eukaryotic Eukaryotes 9070 0.32 Binding ≤ 10μM
FABPI-1-E Fatty Acid Binding Protein Intestinal (cluster #1 Of 3), Eukaryotic Eukaryotes 6570 0.33 Binding ≤ 10μM
FABPL-2-E Fatty Acid-binding Protein, Liver (cluster #2 Of 4), Eukaryotic Eukaryotes 8170 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 670 0.39 Binding ≤ 1μM
FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 670 0.39 Binding ≤ 10μM
FABP5_HUMAN Q01469 Fatty Acid Binding Protein Epidermal, Human 3400 0.35 Binding ≤ 10μM
FABPI_HUMAN P12104 Fatty Acid Binding Protein Intestinal, Human 6570 0.33 Binding ≤ 10μM
FABPH_HUMAN P05413 Fatty Acid Binding Protein Muscle, Human 9070 0.32 Binding ≤ 10μM
FABPL_HUMAN P07148 Fatty Acid-binding Protein, Liver, Human 8170 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis
PPARA activates gene expression
Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp
Transcriptional regulation of white adipocyte differentiation

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

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