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Ligand · D14

D14 · 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide

D14, 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide (C26 H29 Cl N6 O3 S, 541.1 g/mol), in the MolNFT structures on GenesisL1…

Component
D14
Formula
C26 H29 Cl N6 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

D14 in 2 structures; the first of them:

  • 3IIT · Factor XA in complex with a cis-1,2-diaminocyclohexane derivative · D14 A700 · binds GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191, GLN192 and 11 more
  • 3IIT · Factor xa in complex with a cis-1,2-diaminocyclohexane derivative · D14 A700 · binds GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191, GLN192 and 11 more

Residues it binds most

GLY 2, CYS 2, GLU 2, SER 2, TYR 2, ALA 2, ASP 2, GLN 2, ILE 2, PHE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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