UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: (2E,7S,10R,13R)-13-[(4-hydroxyphenyl)methyl]-10-isopropyl-7-propyl-5,8,11,14-tetrazabicyclo[15.4.0]h (2E,7S,10R,13R)-13-[(4-hydroxyph…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTLR-1-E Motilin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 9726 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTLR_HUMAN O43193 Motilin Receptor, Human 9726 0.18 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) 3.43 7.4 -46.86 6 8 1 124 521.682 5 ↓
Mid Mid (pH 6-8) 3.43 4.6 -16.93 5 8 0 120 520.674 5 ↓

Parameters Provided:

ring.id = 78239
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 = 78239 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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