UCSF

ZINC42833251

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 43 No

Popular Name: SR-149415 SR-149415

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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) 2.82 5.04 -24.35 1 11 0 126 630.119 8 ↓

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 25 0.25 Binding ≤ 10μM
V1AR-1-E Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 94 0.23 Binding ≤ 10μM
V1BR-1-E Vasopressin V1b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.29 Binding ≤ 10μM
V2R-1-E Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 325 0.21 Binding ≤ 10μM
OXYR-1-E Oxytocin Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.28 Functional ≤ 10μM
V1AR-1-E Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 59 0.24 Functional ≤ 10μM
V1BR-1-E Vasopressin V1b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 59 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXYR_HUMAN P30559 Oxytocin Receptor, Human 19 0.25 Binding ≤ 1μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 22 0.25 Binding ≤ 1μM
V1BR_HUMAN P47901 Vasopressin V1b Receptor, Human 0.6 0.30 Binding ≤ 1μM
V1BR_RAT P48974 Vasopressin V1b Receptor, Rat 1 0.29 Binding ≤ 1μM
V2R_HUMAN P30518 Vasopressin V2 Receptor, Human 290 0.21 Binding ≤ 1μM
OXYR_HUMAN P30559 Oxytocin Receptor, Human 19 0.25 Binding ≤ 10μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 22 0.25 Binding ≤ 10μM
V1BR_RAT P48974 Vasopressin V1b Receptor, Rat 1 0.29 Binding ≤ 10μM
V1BR_HUMAN P47901 Vasopressin V1b Receptor, Human 0.6 0.30 Binding ≤ 10μM
V2R_HUMAN P30518 Vasopressin V2 Receptor, Human 290 0.21 Binding ≤ 10μM
OXYR_HUMAN P30559 Oxytocin Receptor, Human 1.51356125 0.29 Functional ≤ 10μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 58.8843655 0.24 Functional ≤ 10μM
V1BR_HUMAN P47901 Vasopressin V1b Receptor, Human 58.8843655 0.24 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
G alpha (s) signalling events
Vasopressin regulates renal water homeostasis via Aquaporins
Vasopressin-like receptors

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

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