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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00828266

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A24(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE		D,E,F,G,H1JR00.72
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE		A4A3H0.71
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE		A1H2J0.71
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE		A,B,C2GGX0.74
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.71
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL		A,B1QW90.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.71
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.76
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P		1LT60.76
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE		A,B2WBK0.72
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.72
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.72
EPY1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-
NITROPHENOXY-PROPANE		A,B,C,D1C720.71
B68(2S)-3-[4-(acetylamino)phenoxy]-
2-hydroxy-2-methyl-N-[4-nitro-3-
(trifluoromethyl)phenyl]propanamide		A3B680.7
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.74
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.74
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE		A2IC30.72
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE		A1BQM0.72
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE		A1BQN0.72
HBY(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-
3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-
2(1H)-THIONE		A1HQU0.72
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.74
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.74
A32(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE		D,E,F,G,H,L,
M,O,P,V,W,X,
Y,Z		1JQY0.71
J15N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-
ALPHA-BENZAMIDE		D,E,F,G,H1PZJ0.7
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.74
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.72
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.72
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.72
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.8
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.8
445N-[oxo(phenylamino)acetyl]-beta-
D-glucopyranosylamine		A3CUW0.72
15BN-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-
BETA-BENZAMIDE		D,E,F,G,H1PZJ0.7
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide		A3FYX0.72
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE		A2PB10.72
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE		A1E4I0.72
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE		A1UYQ0.72
B664-{[(1R,2S)-1,2-dihydroxy-2-methyl-
3-(4-nitrophenoxy)propyl]amino}-
2-(trifluoromethyl)benzonitrile		A3B660.76