UCSF

ZINC64251909

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2011 37 No

Popular Name: (3R,6R)-3-indan-2-yl-6-methyl-1-[(1R)-1-(2-methyloxazol-4-yl)-2-morpholino-2-oxo-ethyl]-6-[(1S)-1-me (3R,6R)-3-indan-2-yl-6-methyl-1-…

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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) 2.37 7.6 -18.81 1 9 0 105 508.619 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXYR-1-E Oxytocin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXYR_HUMAN P30559 Oxytocin Receptor, Human 0.63 0.35 Binding ≤ 1μM
OXYR_HUMAN P30559 Oxytocin Receptor, Human 0.63 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Vasopressin-like receptors

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