UCSF

ZINC01410743

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 21 No

Popular Name: [amino-[(N'E)-N'-(2-benzoxy-5-bromo-benzylidene)hydrazino]methylene]ammonium [amino-[(N'E)-N'-(2-benzoxy-5-br…

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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) 3.53 8.57 -31.46 5 5 1 85 348.224 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCR5-2-E C-C Chemokine Receptor Type 5 (cluster #2 Of 4), Eukaryotic Eukaryotes 1900 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CCR5_HUMAN P51681 C-C Chemokine Receptor Type 5, Human 1900 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Binding and entry of HIV virion
Chemokine receptors bind chemokines
G alpha (i) signalling events

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

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