UCSF

ZINC03869897

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 13 No

Popular Name: 4-phospho-D-erythronate 4-phospho-D-erythronate

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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) -3.03 -4.88 -199.57 2 8 -3 153 213.058 5 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links E4PD_AERHH; E4PD_AERS4; E4PD_ALISL; E4PD_ALTMD; E4PD_CITK8; E4PD_COLP3; E4PD_CROS8; E4PD_ECO24; E4PD_ECO27; E4PD_ECO45; E4PD_ECO55; E4PD_ECO57; E4PD_ECO5E; E4PD_ECO7I; E4PD_ECO81; E4PD_ECO8A; E4PD_ECOBW; E4PD_ECODH; E4PD_ECOHS; E4PD_ECOK1; E4PD_ECOL5; E4P ChEBI
UniProt Database Links PDXB_ACIAD; PDXB_ACIB3; PDXB_ACIB5; PDXB_ACIBC; PDXB_ACIBS; PDXB_ACIBT; PDXB_ACIBY; PDXB_AERHH; PDXB_AERS4; PDXB_ALCBS; PDXB_ALISL; PDXB_AZOVD; PDXB_BACFN; PDXB_BACFR; PDXB_BACTN; PDXB_BAUCH; PDXB_BLOFL; PDXB_BLOPB; PDXB_CELJU; PDXB_CHRSD; PDXB_CITK8; PDX ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
6PGD-1-E 6-phosphogluconate Dehydrogenase (cluster #1 Of 1), Eukaryotic Eukaryotes 130 0.74 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
6PGD_HUMAN P52209 6-phosphogluconate Dehydrogenase, Human 130 0.74 Binding ≤ 1μM
6PGD_HUMAN P52209 6-phosphogluconate Dehydrogenase, Human 130 0.74 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pentose phosphate pathway (hexose monophosphate shunt)

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