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Popular Name: 5-(m-tolyl)-1-octyl-3-(pyrrolidin-1-ylmethyl)indole 5-(m-tolyl)-1-octyl-3-(pyrrolidi…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.29 Binding ≤ 10μM
Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 5100 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 500 0.29 Binding ≤ 1μM
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 500 0.29 Binding ≤ 10μM
Z81252 Z81252 MDA-MB-231 (Breast Adenocarcinoma Cells) 5100 0.25 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) 8.02 19.11 -37.44 1 2 1 9 403.634 10 ↓
Hi High (pH 8-9.5) 8.02 16.66 -6.23 0 2 0 8 402.626 10 ↓

Parameters Provided:

ring.id = 366653
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 366653 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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