UCSF

ZINC48998306

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 25 Yes

Popular Name: LDN-211904 LDN-211904

Find On: PubMed — Wikipedia — Google

CAS Number: N/A

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) 2.82 8.97 -57.04 3 5 1 63 355.849 3 ↓
Lo Low (pH 4.5-6) 2.82 9.46 -93.82 4 5 2 64 356.857 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EPHB3-1-E Ephrin Type-B Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 79 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EPHB3_HUMAN P54753 Ephrin Type-B Receptor 3, Human 79 0.40 Binding ≤ 1μM
EPHB3_HUMAN P54753 Ephrin Type-B Receptor 3, Human 79 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHB-mediated forward signaling
Ephrin signaling

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

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