UCSF

ZINC04097706

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 32 No

Popular Name: Kuromanine Kuromanine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7084-24-4 , [7084-24-4]

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) -2.79 -14.64 -32.32 8 11 1 191 449.388 4 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 3MAT_DAHPI; AA5GT_DIACA; AA7GT_DELGR; UGAT_BELPE ChEBI
UniProt Database Links AA5GT_DIACA; AA7GT_DELGR; UGAT_BELPE ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CD38-1-E Lymphocyte Differentiation Antigen CD38 (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CD38_HUMAN P28907 Lymphocyte Differentiation Antigen CD38, Human 6300 0.23 Binding ≤ 10μM

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