Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T96892 | Target Info | |||
| Target Name | Maternal embryonic leucine zipper kinase (MELK) | ||||
| Synonyms | Protein kinase PK38; Protein kinase Eg3 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MELK | ||||
| Biochemical Class | Protein kinase superfamily. CAMK Ser/Thr protein kinase family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 7-{[2-Methoxy-4-(1h-Pyrazol-4-Yl)benzoyl]amino}-2,3,4,5-Tetrahydro-1h-3-Benzazepinium | Ligand Info | |||
| Canonical SMILES | COC1=C(C=CC(=C1)C2=CNN=C2)C(=O)NC3=CC4=C(CC[NH2+]CC4)C=C3 | ||||
| InChI | 1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)/p+1 | ||||
| InChIKey | GMZCYCKIXQZORP-UHFFFAOYSA-O | ||||
| PubChem Compound ID | 78673830 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4D2V Structure of MELK in complex with inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [1] |
| PDB Sequence |
HMKDYDELLK
9 YYELHETIGT19 GGFAKVKLAC29 HILTGEMVAI39 KIMDKNTDLP52 RIKTEIEALK 62 NLRHQHICQL72 YHVLETANKI82 FMVLEYCPGG92 ELFDYIISQD102 RLSEEETRVV 112 FRQIVSAVAY122 VHSQGYAHRD132 LKPENLLFDE142 YHKLKLIDFG152 LCGALAYAAP 177 ELIQGKGSEA190 DVWSMGILLY200 VLMCGFLPFD210 DDTAAALVAK220 IMRGKYDVPK 230 WLSPSSILLL240 QQMLQVDPKK250 RISMKNLLNH260 PWIMQDYNYP270 VEWQSKNPFI 280 HLDDDCVTEL290 SVHHRNNRQT300 MEDLISLWQY310 DHLTATYLLL320 LAKKARGKPV 330 RLR
|
|||||
|
|
||||||
| PDB ID: 5TWZ Structure of Maternal Embryonic Leucine Zipper Kinase | ||||||
| Method | X-ray diffraction | Resolution | 2.63 Å | Mutation | No | [2] |
| PDB Sequence |
SKDYDELLKY
10 YELHETIGTA23 KVKLACHILT33 GEMVAIKIMD43 KNTLGSDLPR53 IKTEIEALKN 63 LRHQHICQLY73 HVLETANKIF83 MVLEYCPGGE93 LFDYIISQDR103 LSEEETRVVF 113 RQIVSAVAYV123 HSQGYAHRDL133 KPENLLFDEY143 HKLKLIDFGG170 SLAYAAPELI 180 QGKSYLGSEA190 DVWSMGILLY200 VLMCGFLPFD210 DDNVMALYKK220 IMRGKYDVPK 230 WLSPSSILLL240 QQMLQVDPKK250 RISMKNLLNH260 PWIMQDYNYP270 VEWQSKNPFI 280 HLDDDCVTEL290 SVHHRNNRQT300 MEDLISLWQY310 DHLTATYLLL320 LAKKARGKPV 330 RLR
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Fragment-based discovery of type I inhibitors of maternal embryonic leucine zipper kinase. ACS Med Chem Lett. 2014 May 23;6(1):25-30. | ||||
| REF 2 | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife. 2017 Sep 19;6:e26693. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.