Reaction Details
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Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527]
Ligand
BDBM593072
Substrate
n/a
Meas. Tech.
LRRK2 Enzymatic Assay
IC50
<50±n/a nM
Citation
Bearss, DJ; Kauwe, III, JS; Mollard, AH Inhibitors of LRRK2 kinase US Patent US11578061 Publication Date 2/14/2023 More Info.:
Target
Name:
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527]
Synonyms:
LRRK2 | LRRK2_HUMAN | Leucine-rich repeat kinase 2 (LRRK2 t-WT) | Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) | PARK8
Type:
Protein
Mol. Mass.:
177317.56
Organism:
Human
Description:
Human LRRK2 variant (970-2527aa)
Residue:
1558
Sequence:
HSDSISSLASEREYITSLDLSANELRDIDALSQKCCISVHLEHLEKLELHQNALTSFPQQLCETLKSLTHLDLHSNKFTSFPSYLLKMSCIANLDVSRNDIGPSVVLDPTVKCPTLKQFNLSYNQLSFVPENLTDVVEKLEQLILEGNKISGICSPLRLKELKILNLSKNHISSLSENFLEACPKVESFSARMNFLAAMPFLPPSMTILKLSQNKFSCIPEAILNLPHLRSLDMSSNDIQYLPGPAHWKSLNLRELLFSHNQISILDLSEKAYLWSRVEKLHLSHNKLKEIPPEIGCLENLTSLDVSYNLELRSFPNEMGKLSKIWDLPLDELHLNFDFKHIGCKAKDIIRFLQQRLKKAVPYNRMKLMIVGNTGSGKTTLLQQLMKTKKSDLGMQSATVGIDVKDWPIQIRDKRKRDLVLNVWDFAGREEFYSTHPHFMTQRALYLAVYDLSKGQAEVDAMKPWLFNIKARASSSPVILVGTHLDVSDEKQRKACMSKITKELLNKRGFPAIRDYHFVNATEESDALAKLRKTIINESLNFKIRDQLVVGQLIPDCYVELEKIILSERKNVPIEFPVIDRKRLLQLVRENQLQLDENELPHAVHFLNESGVLLHFQDPALQLSDLYFVEPKWLCKIMAQILTVKVEGCPKHPKGIISRRDVEKFLSKKRKFPKNYMSQYFKLLEKFQIALPIGEEYLLVPSSLSDHRPVIELPHCENSEIIIRLYEMPYFPMGFWSRLINRLLEISPYMLSGRERALRPNRMYWRQGIYLNWSPEAYCLVGSEVLDNHPESFLKITVPSCRKGCILLGQVVDHIDSLMEEWFPGLLEIDICGEGETLLKKWALYSFNDGEEHQKILLDDLMKKAEEGDLLVNPDQPRLTIPISQIAPDLILADLPRNIMLNNDELEFEQAPEFLLGDGSFGSVYRAAYEGEEVAVKIFNKHTSLRLLRQELVVLCHLHHPSLISLLAAGIRPRMLVMELASKGSLDRLLQQDKASLTRTLQHRIALHVADGLRYLHSAMIIYRDLKPHNVLLFTLYPNAAIIAKIADYGIAQYCCRMGIKTSEGTPGFRAPEVARGNVIYNQQADVYSFGLLLYDILTTGGRIVEGLKFPNEFDELEIQGKLPDPVKEYGCAPWPMVEKLIKQCLKENPQERPTSAQVFDILNSAELVCLTRRILLPKNVIVECMVATHHNSRNASIWLGCGHTDRGQLSFLDLNTEGYTSEEVADSRILCLALVHLPVEKESWIVSGTQSGTLLVINTEDGKKRHTLEKMTDSVTCLYCNSFSKQSKQKNFLLVGTADGKLAIFEDKTVKLKGAAPLKILNIGNVSTPLMCLSESTNSTERNVMWGGCGTKIFSFSNDFTIQKLIETRTSQLFSYAAFSDSNIITVVVDTALYIAKQNSPVVEVWDKKTEKLCGLIDCVHFLREVMVKENKESKHKMSYSGRVKTLCLQKNTALWIGTGGGHILLLDLSTRRLIRVIYNFCNSVRVMMTAQLGSLKNVMLVLGYNRKNTEGTQKQKEIQSCLTVWDINLPHEVQNLEKHIEVRKELAEKMRRTSVE
Inhibitor
Name:
BDBM593072
Synonyms:
3-(4-((5-chloro-4-(((1R,4R)-4- ((methylamino)methyl)cyclohexyl) methoxy)pyrimidin-2-yl)amino)- 5-methyl-1H-pyrazol-1- yl)cyclobutane-1-carbonitrile | US11578061, Example 50
Type:
Small organic molecule
Emp. Form.:
C22H30ClN7O
Mol. Mass.:
443.973
SMILES:
CNC[C@H]1CC[C@H](COc2nc(Nc3cnn(C4CC(C4)C#N)c3C)ncc2Cl)CC1 |r,wU:3.2,wD:6.6,(12.59,-2.69,;11.26,-1.92,;9.92,-2.69,;8.59,-1.93,;7.26,-2.69,;5.92,-1.93,;5.92,-.38,;4.59,.38,;3.26,-.38,;1.92,.38,;.59,-.38,;-.75,.38,;-2.08,-.38,;-3.41,.38,;-3.57,1.92,;-5.08,2.24,;-5.85,.9,;-7.38,.74,;-8.61,1.67,;-9.56,.45,;-8.31,-.48,;-11.09,.24,;-12.61,.03,;-4.82,-.24,;-5.14,-1.75,;-.75,1.93,;.59,2.69,;1.92,1.93,;3.26,2.69,;7.26,.39,;8.59,-.38,)|
Structure:
