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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02199039

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.8
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.8
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.8
4NP4-NITROPHENYL PHOSPHATEA2I6P0.8
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.79
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.79
TN52-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOLA,B1ZW10.71
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.81
LAM4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-
(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-
(1-3)-BETA-D-GLUCOPYRANOSIDE
A1J8V0.72
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.75
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.76
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.76
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.76
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.7
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.78
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.76
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.76
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.76
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.76
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.76
4NC4-NITROCATECHOLA1NO30.75
4NC4-NITROCATECHOLB2BUU0.75
4NC4-NITROCATECHOLB2BUZ0.75
4NC4-NITROCATECHOLB1EOC0.75
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.78
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.81
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.81
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.72
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.81
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.81
4NS4-nitrophenyl sulfateX2ZYU0.81
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.75
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.75
NPOP-NITROPHENOLA,B1Z440.8
NPOP-NITROPHENOLX2ZYW0.8
NPOP-NITROPHENOLH,L1YEK0.8
NPOP-NITROPHENOLA,C,E,G43CA0.8
NPOP-NITROPHENOLA1LS60.8
NPOP-NITROPHENOLX2ZVP0.8
NPOP-NITROPHENOLA,B2I100.8
NPOP-NITROPHENOLA1VAH0.8
NPOP-NITROPHENOLA,B3ETT0.8
NPOP-NITROPHENOLA,B2D200.8
NPOP-NITROPHENOLX2ZYV0.8
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.83
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.83
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.83
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.73
TNFPICRIC ACIDA1GVS0.74
TNFPICRIC ACIDX1VYP0.74
TNFPICRIC ACIDA1VYR0.74
TNFPICRIC ACIDX1VYS0.74
DNF2,4-DINITROPHENOLA,B2B160.77
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.77
DNF2,4-DINITROPHENOLA1GVO0.77
DNF2,4-DINITROPHENOLA,B2B150.77
DNF2,4-DINITROPHENOLA,B2B140.77
XTG4-NITROPHENYL 6-THIO-6-S-ALPHA-
D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
A,B,C,D,E,F2F2H0.73
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.76
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.76
DNC3,5-DINITROCATECHOLA3BWY0.7
DNC3,5-DINITROCATECHOLA3BWM0.7
DNC3,5-DINITROCATECHOLA1VID0.7
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.76
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.84
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.75
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.74
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.74
4NL4-AMINOPHENOLA2ORL0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.73
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.91