UCSF

ZINC04217438

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 22 Yes

Popular Name: SANGIVAMYCIN SANGIVAMYCIN

Find On: PubMed — Wikipedia — Google

CAS Number: 18417-89-5

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) -2.18 -13.01 -18.69 7 10 0 169 309.282 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADK-1-E Adenosine Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 470 0.40 Binding ≤ 10μM
RK-1-E Rhodopsin Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 180 0.43 Binding ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 30 0.48 Functional ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 600 0.40 Functional ≤ 10μM
Z80954-1-O HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other Other 10 0.51 Functional ≤ 10μM
Z80954-1-O HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other Other 8000 0.32 Functional ≤ 10μM
Z81115-2-O KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other Other 80 0.45 Functional ≤ 10μM
Z80193-3-O L1210 (Lymphocytic Leukemia Cells) (cluster #3 Of 4), Other Other 3 0.54 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADK_HUMAN P55263 Adenosine Kinase, Human 470 0.40 Binding ≤ 1μM
RK_HUMAN Q15835 Rhodopsin Kinase, Human 180 0.43 Binding ≤ 1μM
ADK_HUMAN P55263 Adenosine Kinase, Human 470 0.40 Binding ≤ 10μM
RK_HUMAN Q15835 Rhodopsin Kinase, Human 180 0.43 Binding ≤ 10μM
Z80954 Z80954 HFF (Foreskin Fibroblasts) 10 0.51 Functional ≤ 10μM
Z50530 Z50530 Human Herpesvirus 5 30 0.48 Functional ≤ 10μM
Z81115 Z81115 KB (Squamous Cell Carcinoma) 80 0.45 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 3 0.54 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inactivation, recovery and regulation of the phototransduction cascade
Purine salvage

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