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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02841556

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.71
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.73
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.71
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.72
2AF2-AMINOPHENOLA1L4N0.76
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.94
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.94
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.94
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.94
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.94
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.76
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.72
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.75
4NC4-NITROCATECHOLA1NO30.75
4NC4-NITROCATECHOLB2BUU0.75
4NC4-NITROCATECHOLB2BUZ0.75
4NC4-NITROCATECHOLB1EOC0.75
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.71
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.81
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1E560.7
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1H490.7
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1E4N0.7
DNF2,4-DINITROPHENOLA,B2B160.76
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.76
DNF2,4-DINITROPHENOLA1GVO0.76
DNF2,4-DINITROPHENOLA,B2B150.76
DNF2,4-DINITROPHENOLA,B2B140.76
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.8
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.72
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.74
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.72
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.71
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.71
4NL4-AMINOPHENOLA2ORL0.8
4NS4-nitrophenyl sulfateX2ZYU0.75
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.71
NPOP-NITROPHENOLA,B1Z440.82
NPOP-NITROPHENOLX2ZYW0.82
NPOP-NITROPHENOLH,L1YEK0.82
NPOP-NITROPHENOLA,C,E,G43CA0.82
NPOP-NITROPHENOLA1LS60.82
NPOP-NITROPHENOLX2ZVP0.82
NPOP-NITROPHENOLA,B2I100.82
NPOP-NITROPHENOLA1VAH0.82
NPOP-NITROPHENOLA,B3ETT0.82
NPOP-NITROPHENOLA,B2D200.82
NPOP-NITROPHENOLX2ZYV0.82
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.74
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.74
4NP4-NITROPHENYL PHOSPHATEA2I6P0.74
EDREDROPHONIUM IONA1AX90.82
EDREDROPHONIUM IONA2ACK0.82
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.8
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.8
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.8
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.73
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.7
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.7
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
TNFPICRIC ACIDA1GVS0.73
TNFPICRIC ACIDX1VYP0.73
TNFPICRIC ACIDA1VYR0.73
TNFPICRIC ACIDX1VYS0.73
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.75