homecomplexesD-MPNN

D-MPNN Donor Prediction

Sequential multi-lig (7058) — 7058 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
87
Exact (1.0)
2026
Partial (>0)
4945
No match
0.159
Mean score
Reset
#3170 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3171 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3186 4 Ru(2) — 2 candidates
GT: {"N": 2, "O": 2} Pred: {"N": 4, "O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#3192 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3193 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 11, "S": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#3311 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3312 Ru2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3313 Ru3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3355 14 Ru(2) — 1 candidates
GT: {"N": 2, "O": 4} Pred: {"O": 1, "N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#3376 1 [Ru(phen)2(mitatp)]2+ Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3377 2 [Ru(bpy)2(mitatp)]2+ Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3378 [RuCl2NO(BPA)] Ru(2) — 1 candidates
GT: {"N": 3, "O": 1} Pred: {"O": 1, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#3382 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3384 5 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3407 1b Ru(2) — 3 candidates
GT: {"N": 5, "S": 1} Pred: {"N": 11, "S": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#3434 1 Ru(2) — 3 candidates
GT: {"O": 2, "N": 4} Pred: {"O": 6, "N": 6}
0.50
Candidates → Complex detail MOL 3D Viewer
#3435 2 Ru(2) — 3 candidates
GT: {"N": 4, "O": 2} Pred: {"N": 10, "O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#3436 3 Ru(2) — 3 candidates
GT: {"O": 2, "N": 4} Pred: {"O": 6, "N": 6}
0.50
Candidates → Complex detail MOL 3D Viewer
#3437 4 Ru(2) — 1 candidates
GT: {"O": 3, "N": 2, "P": 1} Pred: {"O": 2, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#3438 5 Ru(2) — 1 candidates
GT: {"O": 3, "N": 2, "P": 1} Pred: {"N": 1, "O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#3490 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3496 7 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3504 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3506 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3527 1 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"O": 3, "N": 9}
0.50
Candidates → Complex detail MOL 3D Viewer
#3528 2 Ru(2) — 3 candidates
GT: {"N": 5, "O": 1} Pred: {"N": 11, "O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#3529 3 Ru(2) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"O": 3, "N": 9}
0.50
Candidates → Complex detail MOL 3D Viewer
#3541 Ru-dmb Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3551 (Me4phen)3,[Ru(TMP)3]2+ Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3561 1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3562 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3563 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3593 Ru(l-Ala) (2) Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "P": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#3594 Ru(l-Ser) (3) Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"O": 3, "N": 7, "P": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#3596 Ru(l-Leu) (5) Ru(2) — 3 candidates
GT: {"N": 3, "O": 1, "P": 2} Pred: {"N": 7, "O": 3, "P": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#3658 MyriPyRu Ru(3) — 2 candidates
GT: {"N": 1, "S": 1, "O": 1} Pred: {"N": 2, "S": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#3659 PalmiPyRu Ru(3) — 2 candidates
GT: {"N": 1, "S": 1, "O": 1} Pred: {"N": 2, "S": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#3660 StePyRu Ru(3) — 2 candidates
GT: {"N": 1, "S": 1, "O": 1} Pred: {"N": 2, "S": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#3661 OlePyRu Ru(3) — 2 candidates
GT: {"N": 1, "S": 1, "O": 1} Pred: {"N": 2, "S": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#3663 Ru1 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3667 2 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3684 Ru Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3694 RBD Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3695 RPD Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3765 4 Ru(3) — 2 candidates
GT: {"N": 1, "S": 1, "O": 1} Pred: {"N": 2, "S": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#3827 3 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3828 4 Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3829 5,2,Ru-2a Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3850 Ru-IP Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"N": 12}
0.50
Candidates → Complex detail MOL 3D Viewer
#3852 Ru-Bio Ru(2) — 3 candidates
GT: {"N": 6} Pred: {"S": 3, "N": 9}
0.50
Candidates → Complex detail MOL 3D Viewer
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