UCSF

ZINC03946080

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 20 No

Popular Name: N-(diaminomethylene)-4-isopropyl-2-methyl-5-methylsulfonyl-benzamide N-(diaminomethylene)-4-isopropyl…

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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) 0.73 -5.97 -17.65 4 6 0 115 297.38 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SL9A1-1-E Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.61 Functional ≤ 10μM
SL9A2-1-E Sodium/hydrogen Exchanger 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.61 Functional ≤ 10μM
SL9A3-1-E Sodium/hydrogen Exchanger 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.61 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SL9A1_RABIT P23791 Sodium/hydrogen Exchanger 1, Rabit 2 0.61 Functional ≤ 10μM
SL9A2_RABIT P50482 Sodium/hydrogen Exchanger 2, Rabit 2 0.61 Functional ≤ 10μM
SL9A3_RABIT P26432 Sodium/hydrogen Exchanger 3, Rabit 2 0.61 Functional ≤ 10μM

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