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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02657178

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NL4-AMINOPHENOLA2ORL0.74
BPYBIPHENYL-2,3-DIOLA1KMY0.7
BPYBIPHENYL-2,3-DIOLB1KW80.7
BPYBIPHENYL-2,3-DIOLA2EI30.7
BPYBIPHENYL-2,3-DIOLA1EIR0.7
BPYBIPHENYL-2,3-DIOLB1KW60.7
BPYBIPHENYL-2,3-DIOLB1KWC0.7
BPYBIPHENYL-2,3-DIOLB1KW90.7
HABA,B1SRE0.75
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.77
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.7
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
2AF2-AMINOPHENOLA1L4N0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.74
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.76
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.74
NIYMETA-NITRO-TYROSINEA2ADP0.75
NIYMETA-NITRO-TYROSINEA3DIV0.75
NIYMETA-NITRO-TYROSINEA2H5U0.75
NIYMETA-NITRO-TYROSINEA1K4Q0.75
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.75
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.75
DMBA,B1SRI0.74
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.76
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.76
4NP4-NITROPHENYL PHOSPHATEA2I6P0.76
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.81
2AC2-AMINO-P-CRESOLH,I1A2C0.76
2AC2-AMINO-P-CRESOLA1L4M0.76
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
DNC3,5-DINITROCATECHOLA3BWY0.71
DNC3,5-DINITROCATECHOLA3BWM0.71
DNC3,5-DINITROCATECHOLA1VID0.71
MTBA,B1SRF0.74
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.77
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.7
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.74
TY23-AMINO-L-TYROSINEA,B2VH30.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.73
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.79
MHBA,B1SRG0.74
4NC4-NITROCATECHOLA1NO30.76
4NC4-NITROCATECHOLB2BUU0.76
4NC4-NITROCATECHOLB2BUZ0.76
4NC4-NITROCATECHOLB1EOC0.76
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.78
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.74
NABA,B1SRJ0.71
SOAISATOIC ANHYDRIDEA1BIO0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.73
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.73
DNF2,4-DINITROPHENOLA,B2B160.77
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.77
DNF2,4-DINITROPHENOLA1GVO0.77
DNF2,4-DINITROPHENOLA,B2B150.77
DNF2,4-DINITROPHENOLA,B2B140.77
NCR2-NITRO-P-CRESOLA,B1AHV0.84
4NS4-nitrophenyl sulfateX2ZYU0.77
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.84
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.75
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.75
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.75
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.75
TNFPICRIC ACIDA1GVS0.75
TNFPICRIC ACIDX1VYP0.75
TNFPICRIC ACIDA1VYR0.75
TNFPICRIC ACIDX1VYS0.75