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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019499

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NL4-AMINOPHENOLA2ORL0.74
NPOP-NITROPHENOLA,B1Z440.85
NPOP-NITROPHENOLX2ZYW0.85
NPOP-NITROPHENOLH,L1YEK0.85
NPOP-NITROPHENOLA,C,E,G43CA0.85
NPOP-NITROPHENOLA1LS60.85
NPOP-NITROPHENOLX2ZVP0.85
NPOP-NITROPHENOLA,B2I100.85
NPOP-NITROPHENOLA1VAH0.85
NPOP-NITROPHENOLA,B3ETT0.85
NPOP-NITROPHENOLA,B2D200.85
NPOP-NITROPHENOLX2ZYV0.85
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.73
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.73
4NC4-NITROCATECHOLA1NO30.77
4NC4-NITROCATECHOLB2BUU0.77
4NC4-NITROCATECHOLB2BUZ0.77
4NC4-NITROCATECHOLB1EOC0.77
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.82
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.82
4NP4-NITROPHENYL PHOSPHATEA2I6P0.82
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.74
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.73
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.76
DNC3,5-DINITROCATECHOLA3BWY0.71
DNC3,5-DINITROCATECHOLA3BWM0.71
DNC3,5-DINITROCATECHOLA1VID0.71
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.71
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.71
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.8
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.8
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.72
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.78
4NS4-nitrophenyl sulfateX2ZYU0.84
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.75
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.75
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.75
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.75
2AF2-AMINOPHENOLA1L4N0.7
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.73
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.73
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.74
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.71
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.71
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.86
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.74
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.75
DNF2,4-DINITROPHENOLA,B2B160.78
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.78
DNF2,4-DINITROPHENOLA1GVO0.78
DNF2,4-DINITROPHENOLA,B2B150.78
DNF2,4-DINITROPHENOLA,B2B140.78
TNFPICRIC ACIDA1GVS0.75
TNFPICRIC ACIDX1VYP0.75
TNFPICRIC ACIDA1VYR0.75
TNFPICRIC ACIDX1VYS0.75
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
NCR2-NITRO-P-CRESOLA,B1AHV0.73