UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7S,10R,13R)-13-[(4-hydroxyphenyl)methyl]-10-isopropyl-7-propyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4 (7S,10R,13R)-13-[(4-hydroxypheny…

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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 3237 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTLR_HUMAN O43193 Motilin Receptor, Human 3237 0.20 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) 4.13 6.48 -42.95 6 8 1 116 525.714 5 ↓
Hi High (pH 8-9.5) 4.13 5.49 -10.5 5 8 0 112 524.706 5 ↓
Mid Mid (pH 6-8) 4.13 7.68 -130.35 7 8 2 121 526.722 5 ↓

Parameters Provided:

ring.id = 78336
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 = 78336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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