UCSF

ZINC08195655

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) 4.99 3.5 -16.81 2 12 0 171 650.762 17

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CDA_MYROD; CHAC1_HUMAN; CREB3_HUMAN; CREL1_HUMAN; FAK2_HUMAN; FAK2_MOUSE; FAK2_RAT; NFIL3_RAT; NIBAN_MOUSE; TM241_HUMAN; TRIB3_MOUSE; UBXN4_HUMAN ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AT2A1-1-E Sarcoplasmic/endoplasmic Reticulum Calcium ATP-ase (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
AT2A2-1-E Sarcoplasmic/endoplasmic Reticulum Calcium ATPase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.24 Binding ≤ 10μM
Z50425-1-O Plasmodium Falciparum (cluster #1 Of 22), Other Other 3981 0.16 Functional ≤ 10μM
Z50591-2-O Bos Taurus (cluster #2 Of 2), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AT2A1_RABIT P04191 Sarcoplasmic/endoplasmic Reticulum Calcium ATP-ase, Rabit 0.2 0.30 Binding ≤ 1μM
AT2A1_HUMAN O14983 Sarcoplasmic/endoplasmic Reticulum Calcium ATPase 1, Human 9.6 0.24 Binding ≤ 1μM
AT2A2_HUMAN P16615 Sarcoplasmic/endoplasmic Reticulum Calcium ATPase 2, Human 9.6 0.24 Binding ≤ 1μM
AT2A1_RABIT P04191 Sarcoplasmic/endoplasmic Reticulum Calcium ATP-ase, Rabit 0.2 0.30 Binding ≤ 10μM
AT2A1_HUMAN O14983 Sarcoplasmic/endoplasmic Reticulum Calcium ATPase 1, Human 9.6 0.24 Binding ≤ 10μM
AT2A2_HUMAN P16615 Sarcoplasmic/endoplasmic Reticulum Calcium ATPase 2, Human 9.6 0.24 Binding ≤ 10μM
Z50591 Z50591 Bos Taurus 0.17 0.30 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 3162.27766 0.17 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ion transport by P-type ATPases
Pre-NOTCH Processing in Golgi
Reduction of cytosolic Ca++ levels

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