UCSF

ZINC36295014

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 No

Popular Name: 2-(benzylamino)indane-5,6-diol 2-(benzylamino)indane-5,6-diol

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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) 2.29 4.4 -51.79 4 3 1 57 256.325 3 ↓
Mid Mid (pH 6-8) 2.29 3.18 -7.25 3 3 0 52 255.317 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FYN-4-E Tyrosine-protein Kinase FYN (cluster #4 Of 5), Eukaryotic Eukaryotes 10000 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FYN_HUMAN P06241 Tyrosine-protein Kinase FYN, Human 10000 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
CD28 co-stimulation
CD28 dependent PI3K/Akt signaling
CD28 dependent Vav1 pathway
Cell surface interactions at the vascular wall
Constitutive PI3K/AKT Signaling in Cancer
CRMPs in Sema3A signaling
CTLA4 inhibitory signaling
DAP12 signaling
DCC mediated attractive signaling
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
Ephrin signaling
FCGR activation
GPVI-mediated activation cascade
NCAM signaling for neurite out-growth
Nef and signal transduction
Nephrin interactions
Netrin mediated repulsion signals
PECAM1 interactions
PIP3 activates AKT signaling
Platelet Adhesion to exposed collagen
Regulation of KIT signaling
Regulation of signaling by CBL
Role of LAT2/NTAL/LAB on calcium mobilization
Sema3A PAK dependent Axon repulsion
SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion
Signaling by ERBB2
Signaling by SCF-KIT
VEGFA-VEGFR2 Pathway

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