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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02552045

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
HABA,B1SRE0.73
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.71
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.71
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.71
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.77
MTBA,B1SRF0.73
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.72
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.88
4NB4-NITROBENZOIC ACIDA,B3CHT0.71
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.7
DMBA,B1SRI0.73
2345-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-
3-CARBOXYLIC ACID
A1Q1M0.7
MHBA,B1SRG0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.71
MOBA,B1SRH0.71
44CA2FBR0.73
A055-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACIDA2Q950.77
6CAA2FLM0.73