UCSF

ZINC36338769

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 34 No

Popular Name: 2-[[2,4-dibromo-5-[(2-carbamoylphenyl)carbamoylamino]phenyl]carbamoylamino]benzamide 2-[[2,4-dibromo-5-[(2-carbamoylp…

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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) 3.36 2.99 -21.62 8 10 0 168 590.232 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPIA-1-E Cyclophilin A (cluster #1 Of 2), Eukaryotic Eukaryotes 5900 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPIA_RAT P10111 Cyclophilin A, Rat 5900 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Basigin interactions
Platelet degranulation

Rings

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

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