UCSF

ZINC36349347

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 26 No

Popular Name: oleylanilide oleylanilide

Find On: PubMed — Wikipedia — Google

CAS Number: 5429-85-6

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) 8.76 15.61 -8.29 1 2 0 29 357.582 16 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 170 0.36 Binding ≤ 10μM
SOAT2-1-E Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 170 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 140 0.37 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 20 0.41 Binding ≤ 1μM
SOAT2_HUMAN O75908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Human 170 0.36 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 140 0.37 Binding ≤ 10μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 20 0.41 Binding ≤ 10μM
SOAT2_HUMAN O75908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Human 170 0.36 Binding ≤ 10μM

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