UCSF

ZINC04632133

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 34 No

Popular Name: Leukotriene D4 Leukotriene D4

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CAS Number: 73836-78-9

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) 1.81 10.47 -95.47 5 8 -1 157 495.662 20 ↓
Hi High (pH 8-9.5) 1.81 10.13 -93.27 4 8 -2 156 494.654 20 ↓
Lo Low (pH 4.5-6) 1.81 8.62 -61.06 6 8 0 154 496.67 20 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CLTR1_CAVPO; CLTR1_HUMAN; CLTR1_MOUSE; CLTR2_HUMAN; CLTR2_MOUSE; DPEP1_BOVIN; DPEP1_HUMAN; DPEP1_MOUSE; DPEP1_PIG; DPEP1_RABIT; DPEP1_RAT; DPEP1_SHEEP; DPEP2_HUMAN; DPEP2_MOUSE; DPEP2_RAT; GAGT3_ARATH; GGT1_HUMAN; GGT1_MOUSE; GGT1_PIG; GGT1_RAT; GGT5_HUMA ChEBI
UniProt Database Links CLTR1_CAVPO; CLTR1_HUMAN; CLTR1_MOUSE; DPEP1_BOVIN; DPEP1_HUMAN; DPEP1_MOUSE; DPEP1_PIG; DPEP1_RABIT; DPEP1_RAT; DPEP1_SHEEP; DPEP2_HUMAN; DPEP2_MOUSE; DPEP2_RAT; GAGT3_ARATH; GGT1_HUMAN; GGT1_MOUSE; GGT1_PIG; GGT1_RAT; GGT5_HUMAN; GGT5_MOUSE; GGT5_RAT; P ChEBI
Reactome Database Links REACT_15291; REACT_15356; REACT_15395; REACT_15538; REACT_18268; REACT_18346; REACT_22239; REACT_22263; REACT_22289; REACT_22436 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CLTR1-1-E Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CLTR1_HUMAN Q9Y271 Cysteinyl Leukotriene Receptor 1, Human 0.6 0.38 Binding ≤ 1μM
CLTR1_HUMAN Q9Y271 Cysteinyl Leukotriene Receptor 1, Human 0.6 0.38 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
G alpha (i) signalling events
G alpha (q) signalling events
Leukotriene receptors
Synthesis of Leukotrienes (LT) and Eoxins (EX)

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Leukotriene receptors

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