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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018062

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
MHBA,B1SRG0.8
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.82
DMBA,B1SRI0.78
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.76
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.86
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.86
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.86
MOBA,B1SRH0.74
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.72
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.7
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.73
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.72
HABA,B1SRE0.81
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.74
2724-(6-HYDROXY-BENZO[D]ISOXAZOL-3-
YL)BENZENE-1,3-DIOL
A,B,C,D1U3Q0.73
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.76