Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T27861 | Target Info | |||
| Target Name | Protein cereblon (CRBN) | ||||
| Synonyms | Protein cereblon | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CRBN | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | S-Lenalidomide | Ligand Info | |||
| Canonical SMILES | C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N | ||||
| InChI | 1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1 | ||||
| InChIKey | GOTYRUGSSMKFNF-JTQLQIEISA-N | ||||
| PubChem Compound ID | 12044976 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5FQD Structural basis of Lenalidomide induced CK1a degradation by the crl4crbn ubiquitin ligase | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [1] |
| PDB Sequence |
INFDTSLPTS
56 HTYLGADMEE66 FHGRTLHDDD76 SCQVIPVLPQ86 VMMILIPGQT96 LPLQLFHPQE 106 VSMVRNLIQK116 DRTFAVLAYS126 NVQEREAQFG136 TTAEIYAYRE146 EQDFGIEIVK 156 VKAIGRQRFK166 VLELRTQSDG176 IQQAKVQILP186 ECVLPSTMSA196 VQLESLNKCQ 206 IFPCSYKWWQ225 KYQKRKFHCA235 NLTSWPRWLY245 SLYDAETLMD255 RIKKQLREWD 265 ENLKDDSLPS275 NPIDFSYRVA285 ACLPIDDVLR295 IQLLKIGSAI305 QRLRCELDIM 315 NKCTSLCCKQ325 CQETEITTKN335 EIFSLSLCGP345 MAAYVNPHGY355 VHETLTVYKA 365 CNLNLIGRPS375 TEHSWFPGYA385 WTVAQCKICA395 SHIGWKFTAT405 KKDMSPQKFW 415 GLTRSALLPT425 IPDTEDEISP435 D
|
|||||
|
|
||||||
| PDB ID: 4TZ4 Crystal Structure of Human Cereblon in Complex with DDB1 and Lenalidomide | ||||||
| Method | X-ray diffraction | Resolution | 3.01 Å | Mutation | No | [2] |
| PDB Sequence |
NFDTSLPTSH
57 TYLGADMEEF67 HGRTLHDDDS77 CQVIPVLPQV87 MMILIPGQTL97 PLQLFHPQEV 107 SMVRNLIQKD117 RTFAVLAYSE132 AQFGTTAEIY142 AYREEQDFGI152 EIVKVKAIGR 162 QRFKVLELRT172 GIQQAKVQIL185 PECVLPSTMS195 AVQLESLNKC205 QIFPSKPVSY 221 KWWQKYQKRK231 FHCANLTSWP241 RWLYSLYDAE251 TLMDRIKKQL261 REWDSLPSNP 277 IDFSYRVAAC287 LPIDDVLRIQ297 LLKIGSAIQR307 LRCELDIMNK317 CTSLCCKQCQ 327 ETEITTKNEI337 FSLSLCGPMA347 AYVNPHGYVH357 ETLTVYKACN367 LNLIGRPSTE 377 HSWFPGYAWT387 VAQCKICASH397 IGWKFTATKK407 DMSPQKFWGL417 TRSALLPTIP 427 D
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of lenalidomide-induced CK1Alpha degradation by the CRL4(CRBN) ubiquitin ligase. Nature. 2016 Apr 7;532(7597):127-30. | ||||
| REF 2 | Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.