Ligand name: 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide
PDB ligand accession: 8IM
DrugBank: n/a
PubChem:
162677684
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ChEMBL: n/a
InChI Key: QJNAIOWKPALGIV-UHFFFAOYSA-N
SMILES: [B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCCNC(=O)COCCOCCOCCOCCNC(=O)COc4ccc(cc4)N5CCN(CC5)CCn6c7c(cn6)c8nc(nn8c(n7)N)c9ccco9)C)C)(F)F
Drug action: n/a
No PTM data available
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List of PDB structures and/or AlphaFold models with target protein P29274
| PDB/AF Accession |
PyMOL script |
Experimental / Predicted |
Interacting ECOD domains |
ECOD X-group name |
LigPlot |
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7PYR
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Download
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Experimental
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e7pyrA2 |
Family A G protein-coupled receptor-like
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LigPlot
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