UCSF

ZINC20029528

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 25 Yes

Popular Name: amino-(2-fluorophenyl)-methyl-oxo-BLAHcarbonitrile amino-(2-fluorophenyl)-methyl-ox…

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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) 2.93 6.68 -8.87 3 5 0 92 352.394 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 631 0.35 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 398 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRGR_HUMAN P06401 Progesterone Receptor, Human 630.957344 0.35 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 630.957344 0.35 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 398.107171 0.36 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway
Nuclear signaling by ERBB4

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

No pre-computed analogs available. Try a structural similarity search.