Ligand name: (2~{S},4~{R})-~{N}-[(1~{S})-3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]butylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
PDB ligand accession: QIK
DrugBank: n/a
PubChem:
166607349
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ChEMBL: n/a
InChI Key: KRPIEYYWXMOWMP-CFAWEHKJSA-N
SMILES: Cc1cc(on1)C(C(C)C)C(=O)N2CC(CC2C(=O)NC(CC(=O)NCCCCNC(=O)CC3c4nnc(n4-c5c(c(c(s5)C)C)C(=N3)c6ccc(cc6)Cl)C)c7ccc(cc7)c8c(ncs8)C)O
Drug action: n/a
No PTM data available
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List of PDB structures and/or AlphaFold models with target protein O60885
| PDB/AF Accession |
PyMOL script |
Experimental / Predicted |
Interacting ECOD domains |
ECOD X-group name |
LigPlot |
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8BEB
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Download
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Experimental
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e8bebC2 e8bebD1 |
Immunoglobulin-like beta-sandwich
Bromodomain-like
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LigPlot
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