6OVC

hMcl1 inhibitor complex

Summary for 6OVC

Related2MHS
DescriptorInduced myeloid leukemia cell differentiation protein Mcl-1, (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide (2 entities in total)
Functional Keywordsinhibitor, mcl1 small molecule complex, apoptosis, apoptosis-inhibitor complex, apoptosis/inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight19411.83
Authors
Poppe, L. (deposition date: 2019-05-07, release date: 2019-05-22)
Primary citation
Caenepeel, S.,Brown, S.P.,Belmontes, B.,Moody, G.,Keegan, K.S.,Chui, D.,Whittington, D.A.,Huang, X.,Poppe, L.,Cheng, A.C.,Cardozo, M.,Houze, J.,Li, Y.,Lucas, B.,Paras, N.A.,Wang, X.,Taygerly, J.P.,Vimolratana, M.,Zancanella, M.,Zhu, L.,Cajulis, E.,Osgood, T.,Sun, J.,Damon, L.,Egan, R.K.,Greninger, P.,McClanaghan, J.D.,Gong, J.,Moujalled, D.,Pomilio, G.,Beltran, P.,Benes, C.H.,Roberts, A.W.,Huang, D.C.,Wei, A.,Canon, J.,Coxon, A.,Hughes, P.E.
AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8:1582-1597, 2018
PubMed: 30254093 (PDB entries with the same primary citation)
DOI: 10.1158/2159-8290.CD-18-0387
MImport into Mendeley
Experimental method
SOLUTION NMR
?

Structure validation

ClashscoreRamachandran outliersSidechain outliers0 3.1% 2.1%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures

More Asymmetric unit images

Molmil generated image of 6ovc
no rotation
Molmil generated image of 6ovc
rotated about x axis by 90°
Molmil generated image of 6ovc
rotated about y axis by 90°