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 | CC-220 | Ligand Info | |||
| Canonical SMILES | C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCOCC5 | ||||
| InChI | 1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1 | ||||
| InChIKey | IXZOHGPZAQLIBH-NRFANRHFSA-N | ||||
| PubChem Compound ID | 67335295 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 8D80 Cereblon~DDB1 bound to Iberdomide and Ikaros ZF1-2-3 | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | No | [1] |
| PDB Sequence |
NIINFDTSLP
54 TSHTYLGADM64 EEFHGRTLHD74 DDSCQVIPVL84 PQVMMILIPG94 QTLPLQLFHP 104 QEVSMVRNLI114 QKDRTFAVLA124 YSNVQEREAQ134 FGTTAEIYAY144 REEQDFGIEI 154 VKVKAIGRQR164 FKVLELRTQS174 DGIQQAKVQI184 LPECVLPSTM194 SAVQLESLNK 204 CQIFPSKPVS214 REDQCSYKWW224 QKYQKRKFHC234 ANLTSWPRWL244 YSLYDAETLM 254 DRIKKQLREW264 DENLKDDSLP274 SNPIDFSYRV284 AACLPIDDVL294 RIQLLKIGSA 304 IQRLRCELDI314 MNKCTSLCCK324 QCQETEITTK334 NEIFSLSLCG344 PMAAYVNPHG 354 YVHETLTVYK364 ACNLNLIGRP374 STEHSWFPGY384 AWTVAQCKIC394 ASHIGWKFTA 404 TKKDMSPQKF414 WGLTRSALLP424 T
|
|||||
|
|
||||||
| PDB ID: 5V3O Cereblon in complex with DDB1 and CC-220 | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [2] |
| PDB Sequence |
INFDTSLPTS
56 HTYLGADMEE66 FHGRTLHDDD76 SCQVIPVLPQ86 VMMILIPGQT96 LPLQLFHPQE 106 VSMVRNLIQK116 DRTFAVLAYS126 AQFGTTAEIY142 AYREEQDFGI152 EIVKVKAIGR 162 QRFKVLELRT172 QSDGIQQAKV182 QILPECVLPS192 TMSAVQLESL202 NKCQIFPSSY 221 KWWQKYQKRK231 FHCANLTSWP241 RWLYSLYDAE251 TLMDRIKKQL261 REWDDDSLPS 275 NPIDFSYRVA285 ACLPIDDVLR295 IQLLKIGSAI305 QRLRCELDIM315 NKCTSLCCKQ 325 CQETEITTKN335 EIFSLSLCGP345 MAAYVNPHGY355 VHETLTVYKA365 CNLNLIGRPS 375 TEHSWFPGYA385 WTVAQCKICA395 SHIGWKFTAT405 KKDMSPQKFW415 GLTRSALLPT 425 IPD
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular glue CELMoD compounds are regulators of cereblon conformation. Science. 2022 Nov 4;378(6619):549-553. | ||||
| REF 2 | A Cereblon Modulator (CC-220) with Improved Degradation of Ikaros and Aiolos. J Med Chem. 2018 Jan 25;61(2):535-542. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.