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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00014505

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
NPOP-NITROPHENOLA,B1Z440.73
NPOP-NITROPHENOLX2ZYW0.73
NPOP-NITROPHENOLH,L1YEK0.73
NPOP-NITROPHENOLA,C,E,G43CA0.73
NPOP-NITROPHENOLA1LS60.73
NPOP-NITROPHENOLX2ZVP0.73
NPOP-NITROPHENOLA,B2I100.73
NPOP-NITROPHENOLA1VAH0.73
NPOP-NITROPHENOLA,B3ETT0.73
NPOP-NITROPHENOLA,B2D200.73
NPOP-NITROPHENOLX2ZYV0.73
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.72
SOAISATOIC ANHYDRIDEA1BIO0.83
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.84
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.84
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.84
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.7
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.75
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.82
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.82
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.82
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.79
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.89
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
NCR2-NITRO-P-CRESOLA,B1AHV0.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.79
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.73