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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03358094

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HABA,B1SRE0.75
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate
A,P,Q3D1F0.77
RHQRHODAMINE 6GA,B,D,E1JUS0.76
RHQRHODAMINE 6GA,B,D,E3BR50.76
RHQRHODAMINE 6GA,D,E3BR60.76
RHQRHODAMINE 6GA,B3D6Z0.76
RHQRHODAMINE 6GA1OY80.76
RHQRHODAMINE 6GA1T9V0.76
PX1(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-
2-IMINO-4,6-DIMETHYL-3-OXO-2,3-
DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.77
PX1(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-
2-IMINO-4,6-DIMETHYL-3-OXO-2,3-
DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE
A,B,C,D,E,F1UNM0.77
PXF2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-8-FLUORO-3-OXOPHENOXAZINE
A316D0.78
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.73
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.73
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.73
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.73
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.7
DMBA,B1SRI0.74
MOBA,B1SRH0.74
MTBA,B1SRF0.74
MHBA,B1SRG0.76
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.7
NABA,B1SRJ0.75
44CA2FBR0.75
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.71
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.71
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.77
TIL[2-[5-CARBOXYETHYL-2-PHENOLATO(NITRILOMETHYLIDYNE)][PHENOLATO]]CHROMIUM(III)A,B2Z680.72
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.79
6CAA2FLM0.74
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A2D550.8
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A1DSC0.8
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B1A7Z0.8
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B1OVF0.8
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
C,D1MNV0.8
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B,C,D1I3W0.8
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B,C1A7Y0.8
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B173D0.8
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B1FJA0.8
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A1DSD0.8
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
B1L1V0.8
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B,C1QFI0.8
BRK{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-
2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-
METHOXYPHENYL)METHANONE
A2IZR0.7