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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00555285

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.79
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.79
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.73
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.71
NCR2-NITRO-P-CRESOLA,B1AHV0.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.72
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.71
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.79
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.79
4NP4-NITROPHENYL PHOSPHATEA2I6P0.79
4NC4-NITROCATECHOLA1NO30.74
4NC4-NITROCATECHOLB2BUU0.74
4NC4-NITROCATECHOLB2BUZ0.74
4NC4-NITROCATECHOLB1EOC0.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.72
4NS4-nitrophenyl sulfateX2ZYU0.81
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.74
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.74
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.74
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.74
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.75
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.72
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.84
DNF2,4-DINITROPHENOLA,B2B160.75
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.75
DNF2,4-DINITROPHENOLA1GVO0.75
DNF2,4-DINITROPHENOLA,B2B150.75
DNF2,4-DINITROPHENOLA,B2B140.75
NPOP-NITROPHENOLA,B1Z440.81
NPOP-NITROPHENOLX2ZYW0.81
NPOP-NITROPHENOLH,L1YEK0.81
NPOP-NITROPHENOLA,C,E,G43CA0.81
NPOP-NITROPHENOLA1LS60.81
NPOP-NITROPHENOLX2ZVP0.81
NPOP-NITROPHENOLA,B2I100.81
NPOP-NITROPHENOLA1VAH0.81
NPOP-NITROPHENOLA,B3ETT0.81
NPOP-NITROPHENOLA,B2D200.81
NPOP-NITROPHENOLX2ZYV0.81
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.75
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.74
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.71
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
4NL4-AMINOPHENOLA2ORL0.71
TNFPICRIC ACIDA1GVS0.75
TNFPICRIC ACIDX1VYP0.75
TNFPICRIC ACIDA1VYR0.75
TNFPICRIC ACIDX1VYS0.75