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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016016

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.76
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.72
4NL4-AMINOPHENOLA2ORL0.73
TNFPICRIC ACIDA1GVS0.76
TNFPICRIC ACIDX1VYP0.76
TNFPICRIC ACIDA1VYR0.76
TNFPICRIC ACIDX1VYS0.76
4NC4-NITROCATECHOLA1NO30.73
4NC4-NITROCATECHOLB2BUU0.73
4NC4-NITROCATECHOLB2BUZ0.73
4NC4-NITROCATECHOLB1EOC0.73
DNF2,4-DINITROPHENOLA,B2B160.79
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.79
DNF2,4-DINITROPHENOLA1GVO0.79
DNF2,4-DINITROPHENOLA,B2B150.79
DNF2,4-DINITROPHENOLA,B2B140.79
NPOP-NITROPHENOLA,B1Z440.78
NPOP-NITROPHENOLX2ZYW0.78
NPOP-NITROPHENOLH,L1YEK0.78
NPOP-NITROPHENOLA,C,E,G43CA0.78
NPOP-NITROPHENOLA1LS60.78
NPOP-NITROPHENOLX2ZVP0.78
NPOP-NITROPHENOLA,B2I100.78
NPOP-NITROPHENOLA1VAH0.78
NPOP-NITROPHENOLA,B3ETT0.78
NPOP-NITROPHENOLA,B2D200.78
NPOP-NITROPHENOLX2ZYV0.78
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.78
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.78
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.78
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.78
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.78
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.7
4NS4-nitrophenyl sulfateX2ZYU0.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.71
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.7
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.71
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.7
DNC3,5-DINITROCATECHOLA3BWY0.72
DNC3,5-DINITROCATECHOLA3BWM0.72
DNC3,5-DINITROCATECHOLA1VID0.72
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.72
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.72
4NP4-NITROPHENYL PHOSPHATEA2I6P0.72
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.73
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.7