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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02252584

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.81
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.81
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.8
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.8
4NC4-NITROCATECHOLA1NO30.85
4NC4-NITROCATECHOLB2BUU0.85
4NC4-NITROCATECHOLB2BUZ0.85
4NC4-NITROCATECHOLB1EOC0.85
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
TNFPICRIC ACIDA1GVS0.83
TNFPICRIC ACIDX1VYP0.83
TNFPICRIC ACIDA1VYR0.83
TNFPICRIC ACIDX1VYS0.83
NCR2-NITRO-P-CRESOLA,B1AHV0.8
4NL4-AMINOPHENOLA2ORL0.82
2AF2-AMINOPHENOLA1L4N0.77
4NS4-nitrophenyl sulfateX2ZYU0.93
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.7
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.8
DNF2,4-DINITROPHENOLA,B2B160.85
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.85
DNF2,4-DINITROPHENOLA1GVO0.85
DNF2,4-DINITROPHENOLA,B2B150.85
DNF2,4-DINITROPHENOLA,B2B140.85
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.82
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.82
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.72
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.85
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
2AC2-AMINO-P-CRESOLH,I1A2C0.7
2AC2-AMINO-P-CRESOLA1L4M0.7
NPOP-NITROPHENOLA,B1Z440.94
NPOP-NITROPHENOLX2ZYW0.94
NPOP-NITROPHENOLH,L1YEK0.94
NPOP-NITROPHENOLA,C,E,G43CA0.94
NPOP-NITROPHENOLA1LS60.94
NPOP-NITROPHENOLX2ZVP0.94
NPOP-NITROPHENOLA,B2I100.94
NPOP-NITROPHENOLA1VAH0.94
NPOP-NITROPHENOLA,B3ETT0.94
NPOP-NITROPHENOLA,B2D200.94
NPOP-NITROPHENOLX2ZYV0.94
DNC3,5-DINITROCATECHOLA3BWY0.77
DNC3,5-DINITROCATECHOLA3BWM0.77
DNC3,5-DINITROCATECHOLA1VID0.77
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.91
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.91
4NP4-NITROPHENYL PHOSPHATEA2I6P0.91
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.72
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.7
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.7
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.7
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.7
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.89
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.89
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73