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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00310438

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.71
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.73
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.7
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.74
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.72
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.77
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.7
B664-{[(1R,2S)-1,2-dihydroxy-2-methyl-
3-(4-nitrophenoxy)propyl]amino}-
2-(trifluoromethyl)benzonitrile
A3B660.78
EPY1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-
NITROPHENOXY-PROPANE
A,B,C,D1C720.71
B67(2S)-2-hydroxy-2-methyl-N-[4-nitro-
3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide
A3B670.72
LAM4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-
(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-
(1-3)-BETA-D-GLUCOPYRANOSIDE
A1J8V0.71
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.73
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.73
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.75
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX80.72
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX70.72
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AXA0.72
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.73
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.73
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.73
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.73
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.75
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.75
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.74
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.74
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.74
XTG4-NITROPHENYL 6-THIO-6-S-ALPHA-
D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
A,B,C,D,E,F2F2H0.72
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.75
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.75
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.74
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.81
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.81
B68(2S)-3-[4-(acetylamino)phenoxy]-
2-hydroxy-2-methyl-N-[4-nitro-3-
(trifluoromethyl)phenyl]propanamide
A3B680.75
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.71
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.71
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.75
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.75
JP1N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE-
4-CARBOXAMIDE
A,B1ZXL0.72
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.77
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.75
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.7