UCSF

ZINC13491405

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 21 Yes

Other Names:

MFCD08234449

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) 3.74 7.46 -14.01 1 4 0 62 278.311 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 18 0.52 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 10 0.53 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRGR_CHICK P07812 Progesterone Receptor, Chick 18 0.52 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 18 0.52 Binding ≤ 1μM
PRGR_CHICK P07812 Progesterone Receptor, Chick 18 0.52 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 18 0.52 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1000 0.40 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% )