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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018547

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.9
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.77
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.77
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.77
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.79
GAB3-AMINOBENZOIC ACIDA,B3GSB0.79
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.79
GAB3-AMINOBENZOIC ACIDA3FHB0.79
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.72
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.72
PAB4-AMINOBENZOIC ACIDA1PBD0.8
PAB4-AMINOBENZOIC ACIDB2DZA0.8
PAB4-AMINOBENZOIC ACIDA1IUS0.8
PAB4-AMINOBENZOIC ACIDA1IUU0.8
PAB4-AMINOBENZOIC ACIDA1IUT0.8
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.76
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.82
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.76
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.75
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.79
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.74
BE22-AMINOBENZOIC ACIDE,I1ZFP0.74
BE22-AMINOBENZOIC ACIDA,B2HU80.74
BE22-AMINOBENZOIC ACIDA,B1AN90.74
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.74
BE22-AMINOBENZOIC ACIDA,B2YR60.74
BE22-AMINOBENZOIC ACIDA,I1E8N0.74
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.74
BE22-AMINOBENZOIC ACIDA1C0I0.74
BE22-AMINOBENZOIC ACIDA,B2JB30.74
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.74
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.75
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71