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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01985252

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.72
TNSA,B,L2G2R0.71
NID4-NITRO-INDEN-1-ONEA,B1DOH0.78
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.78
PPNPARA-NITROPHENYLALANINEI1YTJ0.79
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.75
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.81
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.9
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
AAHH1KEL0.73
AAHB,H1FL60.73
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.83
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.86
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
PAB4-AMINOBENZOIC ACIDA1PBD0.72
PAB4-AMINOBENZOIC ACIDB2DZA0.72
PAB4-AMINOBENZOIC ACIDA1IUS0.72
PAB4-AMINOBENZOIC ACIDA1IUU0.72
PAB4-AMINOBENZOIC ACIDA1IUT0.72
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71