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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012695

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DNC3,5-DINITROCATECHOLA3BWY0.8
DNC3,5-DINITROCATECHOLA3BWM0.8
DNC3,5-DINITROCATECHOLA1VID0.8
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.72
2AF2-AMINOPHENOLA1L4N0.81
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.84
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.84
FP22-fluorophenolA3CPO0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.72
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.81
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.8
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.8
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.7
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.77
NCR2-NITRO-P-CRESOLA,B1AHV0.83
NPOP-NITROPHENOLA,B1Z440.97
NPOP-NITROPHENOLX2ZYW0.97
NPOP-NITROPHENOLH,L1YEK0.97
NPOP-NITROPHENOLA,C,E,G43CA0.97
NPOP-NITROPHENOLA1LS60.97
NPOP-NITROPHENOLX2ZVP0.97
NPOP-NITROPHENOLA,B2I100.97
NPOP-NITROPHENOLA1VAH0.97
NPOP-NITROPHENOLA,B3ETT0.97
NPOP-NITROPHENOLA,B2D200.97
NPOP-NITROPHENOLX2ZYV0.97
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.87
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.87
4NP4-NITROPHENYL PHOSPHATEA2I6P0.87
DNF2,4-DINITROPHENOLA,B2B160.88
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.88
DNF2,4-DINITROPHENOLA1GVO0.88
DNF2,4-DINITROPHENOLA,B2B150.88
DNF2,4-DINITROPHENOLA,B2B140.88
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.82
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
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
4NL4-AMINOPHENOLA2ORL0.86
2AC2-AMINO-P-CRESOLH,I1A2C0.73
2AC2-AMINO-P-CRESOLA1L4M0.73
4NC4-NITROCATECHOLA1NO30.88
4NC4-NITROCATECHOLB2BUU0.88
4NC4-NITROCATECHOLB2BUZ0.88
4NC4-NITROCATECHOLB1EOC0.88
FPN4-FLUOROPHENOLA,B1XVD0.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.76
TNFPICRIC ACIDA1GVS0.86
TNFPICRIC ACIDX1VYP0.86
TNFPICRIC ACIDA1VYR0.86
TNFPICRIC ACIDX1VYS0.86
4NS4-nitrophenyl sulfateX2ZYU0.89
EDREDROPHONIUM IONA1AX90.71
EDREDROPHONIUM IONA2ACK0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.75
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.84
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.74
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.85
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.85
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.72