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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021307

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.74
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.76
4NS4-nitrophenyl sulfateX2ZYU0.82
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.79
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.79
XTG4-NITROPHENYL 6-THIO-6-S-ALPHA-
D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
A,B,C,D,E,F2F2H0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.76
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.76
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.73
NCR2-NITRO-P-CRESOLA,B1AHV0.71
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.74
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.74
4NL4-AMINOPHENOLA2ORL0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.72
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.81
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.81
4NP4-NITROPHENYL PHOSPHATEA2I6P0.81
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.7
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.72
DNF2,4-DINITROPHENOLA,B2B160.76
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.76
DNF2,4-DINITROPHENOLA1GVO0.76
DNF2,4-DINITROPHENOLA,B2B150.76
DNF2,4-DINITROPHENOLA,B2B140.76
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.79
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
4NC4-NITROCATECHOLA1NO30.76
4NC4-NITROCATECHOLB2BUU0.76
4NC4-NITROCATECHOLB2BUZ0.76
4NC4-NITROCATECHOLB1EOC0.76
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.7
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.7
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.74
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.74
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.74
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.74
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.74
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.78
NPOP-NITROPHENOLA,B1Z440.82
NPOP-NITROPHENOLX2ZYW0.82
NPOP-NITROPHENOLH,L1YEK0.82
NPOP-NITROPHENOLA,C,E,G43CA0.82
NPOP-NITROPHENOLA1LS60.82
NPOP-NITROPHENOLX2ZVP0.82
NPOP-NITROPHENOLA,B2I100.82
NPOP-NITROPHENOLA1VAH0.82
NPOP-NITROPHENOLA,B3ETT0.82
NPOP-NITROPHENOLA,B2D200.82
NPOP-NITROPHENOLX2ZYV0.82
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.71
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.71
TNFPICRIC ACIDA1GVS0.74
TNFPICRIC ACIDX1VYP0.74
TNFPICRIC ACIDA1VYR0.74
TNFPICRIC ACIDX1VYS0.74
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.7
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.86
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.76
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.78
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.78
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.78
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.78
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.73
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.73
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