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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03459670

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.89
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
NPOP-NITROPHENOLA,B1Z440.7
NPOP-NITROPHENOLX2ZYW0.7
NPOP-NITROPHENOLH,L1YEK0.7
NPOP-NITROPHENOLA,C,E,G43CA0.7
NPOP-NITROPHENOLA1LS60.7
NPOP-NITROPHENOLX2ZVP0.7
NPOP-NITROPHENOLA,B2I100.7
NPOP-NITROPHENOLA1VAH0.7
NPOP-NITROPHENOLA,B3ETT0.7
NPOP-NITROPHENOLA,B2D200.7
NPOP-NITROPHENOLX2ZYV0.7
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.82
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.71
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.89
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.8
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.8
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.8
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.86
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.86
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.86
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
SOAISATOIC ANHYDRIDEA1BIO0.73
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.73
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.83
4NB4-NITROBENZOIC ACIDA,B3CHT0.7
NCR2-NITRO-P-CRESOLA,B1AHV0.74
34A3,4-DIMETHYLANILINEA1L4K0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.72
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76