UCSF

ZINC04623738

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 24 Yes

Popular Name: Leukotriene B4 Leukotriene B4

Find On: PubMed — Wikipedia — Google

CAS Numbers: 124629-74-9 , 71160-24-2

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) 4.35 8.63 -49.42 2 4 -1 81 335.464 14 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AMPB_HUMAN; AMPB_MOUSE; AMPB_RAT; CLTR1_HUMAN; CLTR1_MOUSE; CP4F2_HUMAN; CP4F3_HUMAN; CP4F3_MOUSE; CP4F3_RAT; CP4F8_HUMAN; CP4FC_HUMAN; CP4FE_MOUSE; FPR2_HUMAN; KPCD_CANFA; KPCD_HUMAN; KPCD_MOUSE; KPCD_RAT; LKA41_PICGU; LKA41_PICST; LKA42_PICGU; LKA42_PIC ChEBI
UniProt Database Links AMPB_HUMAN; AMPB_MOUSE; AMPB_RAT; CP4F2_HUMAN; CP4F3_HUMAN; CP4F3_MOUSE; CP4F3_RAT; CP4F8_HUMAN; CP4FC_HUMAN; CP4FE_MOUSE; FPR2_HUMAN; KPCD_CANFA; KPCD_HUMAN; KPCD_MOUSE; KPCD_RAT; LKA41_PICGU; LKA41_PICST; LKA42_PICGU; LKA42_PICST; LKHA4_AJECN; LKHA4_ARA ChEBI
Patent Database Links EP1609477; US2002128315 ChEBI
Reactome Database Links REACT_13738; REACT_150449; REACT_15291; REACT_15478; REACT_18361; REACT_22263; REACT_22436 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LT4R1-2-E Leukotriene B4 Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 32 0.44 Binding ≤ 10μM
LT4R2-2-E Leukotriene B4 Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 2 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LT4R1_HUMAN Q15722 Leukotriene B4 Receptor 1, Human 0.12 0.58 Binding ≤ 1μM
LT4R2_HUMAN Q9NPC1 Leukotriene B4 Receptor 2, Human 0.12 0.58 Binding ≤ 1μM
LT4R1_HUMAN Q15722 Leukotriene B4 Receptor 1, Human 0.12 0.58 Binding ≤ 10μM
LT4R2_HUMAN Q9NPC1 Leukotriene B4 Receptor 2, Human 0.12 0.58 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 1.79 0.51 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Eicosanoids
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% )