UCSF

ZINC13470184

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 18 Yes

Popular Name: Lomeguatrib Lomeguatrib

Find On: PubMed — Wikipedia — Google

CAS Number: 192441-08-0

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) 2.04 4.74 -11.86 3 6 0 90 326.179 3 ↓

Vendor Notes

Note Type Comments Provided By
Target DNA Methyltransferase Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGMT-1-E 6-O-methylguanine-DNA Methyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.63 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MGMT_HUMAN P16455 6-O-methylguanine-DNA Methyltransferase, Human 3 0.66 Binding ≤ 1μM
MGMT_HUMAN P16455 6-O-methylguanine-DNA Methyltransferase, Human 3 0.66 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
DNA Damage Reversal

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

No pre-computed analogs available. Try a structural similarity search.