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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015641

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.81
4NL4-AMINOPHENOLA2ORL0.74
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.74
4NC4-NITROCATECHOLA1NO30.78
4NC4-NITROCATECHOLB2BUU0.78
4NC4-NITROCATECHOLB2BUZ0.78
4NC4-NITROCATECHOLB1EOC0.78
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.76
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.71
2AF2-AMINOPHENOLA1L4N0.76
NPOP-NITROPHENOLA,B1Z440.84
NPOP-NITROPHENOLX2ZYW0.84
NPOP-NITROPHENOLH,L1YEK0.84
NPOP-NITROPHENOLA,C,E,G43CA0.84
NPOP-NITROPHENOLA1LS60.84
NPOP-NITROPHENOLX2ZVP0.84
NPOP-NITROPHENOLA,B2I100.84
NPOP-NITROPHENOLA1VAH0.84
NPOP-NITROPHENOLA,B3ETT0.84
NPOP-NITROPHENOLA,B2D200.84
NPOP-NITROPHENOLX2ZYV0.84
4NS4-nitrophenyl sulfateX2ZYU0.79
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.76
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.7
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.71
TNFPICRIC ACIDA1GVS0.83
TNFPICRIC ACIDX1VYP0.83
TNFPICRIC ACIDA1VYR0.83
TNFPICRIC ACIDX1VYS0.83
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.71
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.71
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.71
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.7
DNC3,5-DINITROCATECHOLA3BWY0.79
DNC3,5-DINITROCATECHOLA3BWM0.79
DNC3,5-DINITROCATECHOLA1VID0.79
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.77
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.77
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.71
NCR2-NITRO-P-CRESOLA,B1AHV0.78
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.76
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.76
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.7
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.7
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.7
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.71
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.84
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.77
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.77
4NP4-NITROPHENYL PHOSPHATEA2I6P0.77
DNF2,4-DINITROPHENOLA,B2B160.86
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.86
DNF2,4-DINITROPHENOLA1GVO0.86
DNF2,4-DINITROPHENOLA,B2B150.86
DNF2,4-DINITROPHENOLA,B2B140.86