UCSF

ZINC02548486

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 29 Yes

Popular Name: NFPS NFPS

Find On: PubMed — Wikipedia — Google

CAS Number: 405225-21-0

Other Names:

MFCD07772265

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) 4.17 13.88 -44.45 1 4 0 54 393.458 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC6A5-2-E Glycine Transporter 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 36 0.36 Binding ≤ 10μM
SC6A9-1-E Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 36 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A9_HUMAN P48067 Glycine Transporter 1, Human 0.8 0.44 Binding ≤ 1μM
SC6A5_HUMAN Q9Y345 Glycine Transporter 2, Human 36.4 0.36 Binding ≤ 1μM
SC6A9_HUMAN P48067 Glycine Transporter 1, Human 0.8 0.44 Binding ≤ 10μM
SC6A5_HUMAN Q9Y345 Glycine Transporter 2, Human 36.4 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Na+/Cl- dependent neurotransmitter transporters

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

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