UCSF

ZINC03824080

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 37 Yes

Popular Name: L-371257 L-371257

Find On: PubMed — Wikipedia — Google

CAS Number: 162042-44-6

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) 2.29 10.8 -30.29 0 9 0 89 507.587 5 ↓

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 19 0.29 Binding ≤ 10μM
V1AR-1-E Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.21 Binding ≤ 10μM
OXYR-1-E Oxytocin Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 640 0.23 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 25 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXYR_RAT P70536 Oxytocin Receptor, Rat 19 0.29 Binding ≤ 1μM
OXYR_HUMAN P30559 Oxytocin Receptor, Human 4.6 0.32 Binding ≤ 1μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 3.7 0.32 Binding ≤ 1μM
OXYR_HUMAN P30559 Oxytocin Receptor, Human 4.6 0.32 Binding ≤ 10μM
OXYR_RAT P70536 Oxytocin Receptor, Rat 19 0.29 Binding ≤ 10μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 3200 0.21 Binding ≤ 10μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 3.7 0.32 Binding ≤ 10μM
OXYR_RAT P70536 Oxytocin Receptor, Rat 640 0.23 Functional ≤ 10μM
OXYR_HUMAN P30559 Oxytocin Receptor, Human 20 0.29 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 25 0.29 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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