UCSF

ZINC13474734

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 19 No

Popular Name: CARIPORIDE CARIPORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 159138-80-4 , 159138-81-5

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) 0.35 1.32 -19.12 4 6 0 116 283.353 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 65 0.53 Binding ≤ 10μM
SL9A2-1-E Sodium/hydrogen Exchanger 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.56 Binding ≤ 10μM
SL9A3-1-E Sodium/hydrogen Exchanger 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.56 Binding ≤ 10μM
SL9A1-1-E Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 75 0.52 Functional ≤ 10μM
SL9A2-1-E Sodium/hydrogen Exchanger 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.56 Functional ≤ 10μM
SL9A3-1-E Sodium/hydrogen Exchanger 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.56 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 117 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SL9A1_RAT P26431 Sodium/hydrogen Exchanger 1, Rat 30.7 0.55 Binding ≤ 1μM
SL9A1_RABIT P23791 Sodium/hydrogen Exchanger 1, Rabit 26 0.56 Binding ≤ 1μM
SL9A1_HUMAN P19634 Sodium/hydrogen Exchanger 1, Human 680 0.45 Binding ≤ 1μM
SL9A2_RABIT P50482 Sodium/hydrogen Exchanger 2, Rabit 26 0.56 Binding ≤ 1μM
SL9A3_RABIT P26432 Sodium/hydrogen Exchanger 3, Rabit 26 0.56 Binding ≤ 1μM
SL9A1_HUMAN P19634 Sodium/hydrogen Exchanger 1, Human 1200 0.44 Binding ≤ 10μM
SL9A1_RAT P26431 Sodium/hydrogen Exchanger 1, Rat 30.7 0.55 Binding ≤ 10μM
SL9A1_RABIT P23791 Sodium/hydrogen Exchanger 1, Rabit 26 0.56 Binding ≤ 10μM
SL9A2_RABIT P50482 Sodium/hydrogen Exchanger 2, Rabit 26 0.56 Binding ≤ 10μM
SL9A3_RABIT P26432 Sodium/hydrogen Exchanger 3, Rabit 26 0.56 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 117 0.51 Functional ≤ 10μM
SL9A1_RABIT P23791 Sodium/hydrogen Exchanger 1, Rabit 26 0.56 Functional ≤ 10μM
SL9A1_HUMAN P19634 Sodium/hydrogen Exchanger 1, Human 3400 0.40 Functional ≤ 10μM
SL9A1_RAT P26431 Sodium/hydrogen Exchanger 1, Rat 75 0.52 Functional ≤ 10μM
SL9A2_RABIT P50482 Sodium/hydrogen Exchanger 2, Rabit 26 0.56 Functional ≤ 10μM
SL9A3_RABIT P26432 Sodium/hydrogen Exchanger 3, Rabit 26 0.56 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hyaluronan uptake and degradation
Sodium/Proton exchangers

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