Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T75596 | Target Info | |||
| Target Name | Methionine aminopeptidase 2 (METAP2) | ||||
| Synonyms | Peptidase M 2; P67eIF2; P67; MetAP 2; METAP2; Initiation factor 2 associated 67 kDa glycoprotein; (MetAP)-2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | METAP2 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide | Ligand Info | |||
| Canonical SMILES | CC(C)OC1=C(C=CC(=C1)N2CCNCC2)C3=C(NC4=CC(=C(C=C43)F)F)C(=O)N | ||||
| InChI | 1S/C22H24F2N4O2/c1-12(2)30-19-9-13(28-7-5-26-6-8-28)3-4-14(19)20-15-10-16(23)17(24)11-18(15)27-21(20)22(25)29/h3-4,9-12,26-27H,5-8H2,1-2H3,(H2,25,29) | ||||
| InChIKey | VLTSNEYKDGRFDU-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 138105970 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6QEI CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 5,6-Difluoro-3-(2-isopropoxy-4-piperazin-1-yl-phenyl)-1H-indole-2-carboxylic acid amide | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
VQTDPPSVPI
120 CDLYPNGVFP130 KGQECEYPPT140 QDGRTAAWRT150 TSEEKKALDQ160 ASEEIWNDFR 170 EAAEAHRQVR180 KYVMSWIKPG190 MTMIEICEKL200 EDCSRKLIKE210 NGLNAGLAFP 220 TGCSLNNCAA230 HYTPNAGDTT240 VLQYDDICKI250 DFGTHISGRI260 IDCAFTVTFN 270 PKYDTLLKAV280 KDATNTGIKC290 AGIDVRLCDV300 GEAIQEVMES310 YEVEIDGKTY 320 QVKPIRNLNG330 HSIGQYRIHA340 GKTVPIVKAT353 RMEEGEVYAI363 ETFGSTGKGV 373 VHDDMECSHY383 MKNFDVGHVP393 IRLPRTKHLL403 NVINENFGTL413 AFCRRWLDRL 423 GESKYLMALK433 NLCDLGIVDP443 YPPLCDIKGS453 YTAQFEHTIL463 LRPTCKEVVS 473 RG
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| PDB ID: 7A16 CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2229238A (COMPOUND 43) | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
KVQTDPPSVP
119 ICDLYPNGVF129 PKGQECEYPP139 TQDGRTAAWR149 TTSEEKKALD159 QASEEIWNDF 169 REAAEAHRQV179 RKYVMSWIKP189 GMTMIEICEK199 LEDCSRKLIK209 ENGLNAGLAF 219 PTGCSLNNCA229 AHYTPNAGDT239 TVLQYDDICK249 IDFGTHISGR259 IIDCAFTVTF 269 NPKYDTLLKA279 VKDATNTGIK289 CAGIDVRLCD299 VGEAIQEVME309 SYEVEIDGKT 319 YQVKPIRNLN329 GHSIGQYRIH339 AGKTVPIVAT353 RMEEGEVYAI363 ETFGSTGKGV 373 VHDDMECSHY383 MKNFDVGHVP393 IRLPRTKHLL403 NVINENFGTL413 AFCRRWLDRL 423 GESKYLMALK433 NLCDLGIVDP443 YPPLCDIKGS453 YTAQFEHTIL463 LRPTCKEVVS 473 RGDDY
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors. J Med Chem. 2019 May 23;62(10):5025-5039. | ||||
| REF 2 | Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'. Bioorg Med Chem Lett. 2020 Nov 1;30(21):127533. | ||||
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