UCSF

ZINC02384776

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 20 Yes

Popular Name: Val-Tyr Val-Tyr

Find On: PubMed — Wikipedia — Google

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) -1.49 -3.99 -70.08 5 6 0 117 280.324 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0324659A2; EP0324659B1; EP0347890A1; EP0393786A1; EP0393786B1; EP0410372A1; EP0475160B1; EP0532466A3; EP0618222A3; EP0626178A1; US5036052; US5340734; US5643878; US5663168; US5770083; US5977076; US6165500; WO1986004334A1; WO1991017182A1; WO1995011317A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACE-1-E Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.36 Binding ≤ 10μM
S15A2-1-E Solute Carrier Family 15 Member 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 0.39 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_RABIT P12822 Angiotensin-converting Enzyme, Rabit 7000 0.36 Binding ≤ 10μM
S15A2_HUMAN Q16348 Solute Carrier Family 15 Member 2, Human 2500 0.39 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Proton/oligonucleotide cotransporters

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