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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00014512

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.76
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.89
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.8
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.85
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.8
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.8
SOAISATOIC ANHYDRIDEA1BIO0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.7
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.89
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.78
4NB4-NITROBENZOIC ACIDA,B3CHT0.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.79
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.79
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.79