UCSF

ZINC26749775

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 44 No

Popular Name: (3R)-2-[(2R,5S)-1-[(2R)-1-tert-butoxycarbonylindoline-2-carbonyl]-5-phenyl-pyrrolidine-2-carbonyl]-3 (3R)-2-[(2R,5S)-1-[(2R)-1-tert-b…

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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) 2.90 17.79 -96.64 0 9 -1 110 594.688 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GASR-1-E Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 39 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GASR_RAT P30553 Cholecystokinin B Receptor, Rat 39 0.24 Binding ≤ 1μM
GASR_RAT P30553 Cholecystokinin B Receptor, Rat 39 0.24 Binding ≤ 10μM

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