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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008217

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.73
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.73
4NC4-NITROCATECHOLA1NO30.78
4NC4-NITROCATECHOLB2BUU0.78
4NC4-NITROCATECHOLB2BUZ0.78
4NC4-NITROCATECHOLB1EOC0.78
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.76
2AF2-AMINOPHENOLA1L4N0.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.7
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.75
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.7
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.7
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.79
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.75
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.75
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.75
TNFPICRIC ACIDA1GVS0.76
TNFPICRIC ACIDX1VYP0.76
TNFPICRIC ACIDA1VYR0.76
TNFPICRIC ACIDX1VYS0.76
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.77
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.71
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.71
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.71
DNF2,4-DINITROPHENOLA,B2B160.79
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.79
DNF2,4-DINITROPHENOLA1GVO0.79
DNF2,4-DINITROPHENOLA,B2B150.79
DNF2,4-DINITROPHENOLA,B2B140.79
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.83
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.83
NPOP-NITROPHENOLA,B1Z440.86
NPOP-NITROPHENOLX2ZYW0.86
NPOP-NITROPHENOLH,L1YEK0.86
NPOP-NITROPHENOLA,C,E,G43CA0.86
NPOP-NITROPHENOLA1LS60.86
NPOP-NITROPHENOLX2ZVP0.86
NPOP-NITROPHENOLA,B2I100.86
NPOP-NITROPHENOLA1VAH0.86
NPOP-NITROPHENOLA,B3ETT0.86
NPOP-NITROPHENOLA,B2D200.86
NPOP-NITROPHENOLX2ZYV0.86
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.74
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.89
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.73
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.73
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.72
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.77
XTG4-NITROPHENYL 6-THIO-6-S-ALPHA-
D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
A,B,C,D,E,F2F2H0.7
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.74
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.74
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.74
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.74
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.84
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.84
4NP4-NITROPHENYL PHOSPHATEA2I6P0.84
4NS4-nitrophenyl sulfateX2ZYU0.85
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.76
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.76
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.77
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.77
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.78
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.77
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.77
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.71
NCR2-NITRO-P-CRESOLA,B1AHV0.75
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
DNC3,5-DINITROCATECHOLA3BWY0.72
DNC3,5-DINITROCATECHOLA3BWM0.72
DNC3,5-DINITROCATECHOLA1VID0.72
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.75
4NL4-AMINOPHENOLA2ORL0.76