Ligand · I74
I74 · (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
I74, (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (C22 H30 N6 O, 394.5 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (6 PDB entries). Every binding site…
- Component
- I74
- Formula
- C22 H30 N6 O
- Class
- ligand
- Structures
- 7
- PDB entries
- 6
Binding sites
I74 in 7 structures; the first of them:
- 5JQ5 · Crystal structure of CDK2 in complex with inhibitor ICEC0942 · I74 A302 · binds ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, VAL64, PHE80 and 12 more
- 7B5Q · Cryo-EM structure of the human CAK bound to ICEC0942 (PHENIX-OPLS3e) · I74 J401 · binds LEU18, VAL26, ALA39, ILE75, PHE91, ASP92, PHE93, MET94 and 7 more
- 8P6V · Cryo-EM structure of CAK in complex with inhibitor ICEC0942 · I74 J401 · binds LEU18, VAL26, ALA39, LYS41, ILE75, PHE91, ASP92, PHE93 and 10 more
- 8R9A · A soakable crystal form of human CDK7 in complex with AMP-PNP · I74 A402 · binds LEU18, VAL26, ALA39, ILE75, PHE91, ASP92, PHE93, MET94 and 8 more
- 8RU8 · A crystal form of a human CDK2-CDK7 chimera · I74 A301 · binds GLU8, LEU10, GLY11, GLU12, GLY13, VAL18, ALA31, ILE64 and 12 more
- 7B5O · Cryo-EM structure of the human cak bound to ICEC0942 at 2.5 ångströms resolution · I74 J401 · binds LEU18, VAL26, ALA39, LYS41, ILE75, PHE91, ASP92, PHE93 and 7 more
- 7B5Q · Cryo-EM structure of the human cak bound to ICEC0942 (phenix-OPLS3E) · I74 J401 · binds LEU18, VAL26, ALA39, ILE75, PHE91, ASP92, PHE93, MET94 and 7 more
Residues it binds most
ASP 7, LEU 7, PHE 7, ALA 7, ASN 7, GLU 7, VAL 7, ILE 7, MET 5, THR 5 (residue and the binding sites it lines).
Found with
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