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Protein Details
Crown ID
1grf__1__1.a_2.a__1.c_1.c
PLINDER ID
1grf__1__1.A_2.A__1.C
PDB ID
1grf
X-Ray Resolution (Å)
2.00
X-Ray RSR
0.071
X-Ray RSCC
0.983
Receptor UniProt ID
P00390
Receptor CATH ID
3.50.50.60
NCBI Taxon ID
9606
Source Organism
Homo sapiens
CCD Codes in System
FAD
Ligand Details
Chain
1.C
CCD ID
FAD
SMILES
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C
Murcko Scaffold
O=c1nc2n(CCCCCO[PH](=O)O[PH](=O)OCC3CCC(n4cnc5cncnc54)O3)c3ccccc3nc-2c(=O)[nH]1
Rotatable Bonds
13
H-Bond Donors
9
H-Bond Acceptors
21
Heavy Atoms
53