UCSF

ZINC04095814

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 43 No

Popular Name: Leukotriene C4 Leukotriene C4

Find On: PubMed — Wikipedia — Google

CAS Number: 72025-60-6

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) -0.77 11.56 -138.95 6 12 -2 226 623.769 25 ↓
Hi High (pH 8-9.5) -0.77 11.36 -162.91 5 12 -3 225 622.761 25 ↓
Lo Low (pH 4.5-6) -0.77 9.57 -90.57 7 12 -1 224 624.777 25 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ABCA8_HUMAN; ABCCB_HUMAN; CLTR1_HUMAN; CLTR1_MOUSE; CLTR2_HUMAN; CLTR2_MOUSE; GAGT3_ARATH; GGT1_HUMAN; GGT1_MOUSE; GGT1_PIG; GGT1_RAT; GGT5_HUMAN; GGT5_MOUSE; GGT5_RAT; LIRA4_HUMAN; LTC4S_BOVIN; LTC4S_CAVPO; LTC4S_HUMAN; LTC4S_MOUSE; LTC4S_RAT; MGST2_BOVI ChEBI
UniProt Database Links ABCCB_HUMAN; GAGT3_ARATH; GGT1_HUMAN; GGT1_MOUSE; GGT1_PIG; GGT1_RAT; GGT5_HUMAN; GGT5_MOUSE; GGT5_RAT; LIRA4_HUMAN; LTC4S_BOVIN; LTC4S_CAVPO; LTC4S_HUMAN; LTC4S_MOUSE; LTC4S_RAT; MRP1_BOVIN; MRP1_CANFA; MRP1_CHICK; MRP1_HUMAN; MRP1_MACFA; MRP1_MOUSE; MRP ChEBI
Reactome Database Links REACT_15291; REACT_15356; REACT_15413; REACT_15474; 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
MRP2-1-E Canalicular Multispecific Organic Anion Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MRP2_HUMAN Q92887 Canalicular Multispecific Organic Anion Transporter 1, Human 150 0.22 Binding ≤ 1μM
MRP2_HUMAN Q92887 Canalicular Multispecific Organic Anion Transporter 1, Human 150 0.22 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
ABC-family proteins mediated transport

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