Ki Summary

Reaction Details

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Target

Polyunsaturated fatty acid lipoxygenase ALOX15

Ligand

BDBM50221403

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_449594 (CHEMBL898689)

IC50

>50000±n/a nM

Citation

Deschamps, JD; Gautschi, JT; Whitman, S; Johnson, TA; Gassner, NC; Crews, P; Holman, TR Discovery of platelet-type 12-human lipoxygenase selective inhibitors by high-throughput screening of structurally diverse libraries. Bioorg Med Chem15:6900-8 (2007) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Polyunsaturated fatty acid lipoxygenase ALOX15

Name:

Polyunsaturated fatty acid lipoxygenase ALOX15

Synonyms:

Type:

Protein

Mol. Mass.:

74804.05

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

662

Sequence:

MGLYRIRVSTGASLYAGSNNQVQLWLVGQHGEAALGKRLWPARGKETELKVEVPEYLGPL
LFVKLRKRHLLKDDAWFCNWISVQGPGAGDEVRFPCYRWVEGNGVLSLPEGTGRTVGEDP
QGLFQKHREEELEERRKLYRWGNWKDGLILNMAGAKLYDLPVDERFLEDKRVDFEVSLAK
GLADLAIKDSLNVLTCWKDLDDFNRIFWCGQSKLAERVRDSWKEDALFGYQFLNGANPVV
LRRSAHLPARLVFPPGMEELQAQLEKELEGGTLFEADFSLLDGIKANVILCSQQHLAAPL
VMLKLQPDGKLLPMVIQLQLPRTGSPPPPLFLPTDPPMAWLLAKCWVRSSDFQLHELQSH
LLRGHLMAEVIVVATMRCLPSIHPIFKLIIPHLRYTLEINVRARTGLVSDMGIFDQIMST
GGGGHVQLLKQAGAFLTYSSFCPPDDLADRGLLGVKSSFYAQDALRLWEIIYRYVEGIVS
LHYKTDVAVKDDPELQTWCREITEIGLQGAQDRGFPVSLQARDQVCHFVTMCIFTCTGQH
ASVHLGQLDWYSWVPNAPCTMRLPPPTTKDATLETVMATLPNFHQASLQMSITWQLGRRQ
PVMVAVGQHEEEYFSGPEPKAVLKKFREELAALDKEIEIRNAKLDMPYEYLRPSVVENSV
AI

BDBM50221403

n/a

Name

BDBM50221403

Synonyms:

CHEMBL397803 | mischellamine B

Type

Small organic molecule

Emp. Form.

C46H48N2O8

Mol. Mass.

756.8819

SMILES

COc1cc(C)cc2c(cc(c(O)c12)-c1ccc2c(c(C)cc(OC)c2c1O)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12 |wU:38.42,52.58,wD:49.55,35.39,(-8.29,-38.12,;-6.96,-37.34,;-6.96,-35.81,;-8.29,-35.04,;-8.29,-33.49,;-9.62,-32.73,;-6.96,-32.73,;-5.63,-33.48,;-4.3,-32.71,;-2.97,-33.47,;-2.96,-35.02,;-4.3,-35.8,;-4.29,-37.34,;-5.63,-35.03,;-1.63,-35.78,;-1.62,-37.32,;-.29,-38.08,;1.03,-37.31,;2.38,-38.07,;3.71,-37.29,;5.05,-38.06,;3.7,-35.74,;2.36,-34.99,;2.34,-33.45,;3.67,-32.66,;1.03,-35.76,;-.31,-35,;-.32,-33.47,;2.38,-39.6,;1.05,-40.38,;-.28,-39.61,;1.06,-41.92,;2.39,-42.68,;2.41,-44.22,;3.73,-41.89,;5.04,-42.65,;5.05,-44.19,;6.36,-41.88,;6.36,-40.35,;7.45,-39.24,;5.03,-39.59,;3.72,-40.36,;-4.31,-31.19,;-2.98,-30.4,;-1.64,-31.17,;-2.99,-28.87,;-4.32,-28.11,;-4.33,-26.57,;-5.65,-28.88,;-7,-28.13,;-7,-26.59,;-8.33,-28.9,;-8.31,-30.45,;-9.64,-31.22,;-6.97,-31.22,;-5.65,-30.42,)|

Structure