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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02220601

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NB4-NITROBENZOIC ACIDA,B3CHT0.8
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.77
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.74
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.88
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.7
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.74
PAB4-AMINOBENZOIC ACIDA1PBD0.71
PAB4-AMINOBENZOIC ACIDB2DZA0.71
PAB4-AMINOBENZOIC ACIDA1IUS0.71
PAB4-AMINOBENZOIC ACIDA1IUU0.71
PAB4-AMINOBENZOIC ACIDA1IUT0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.8
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.85
AAHH1KEL0.73
AAHB,H1FL60.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.76
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.83
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
TNSA,B,L2G2R0.72