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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02252214

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.77
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.8
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.75
HABA,B1SRE0.73
9AR9-HYDROXY ARISTOLOCHIC ACIDA,B1FV00.79
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.73
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.75
IX15-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-
4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID
A1XBO0.71
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.73
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.73
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.81
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.73
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.73
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.73
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.73
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.72
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.74
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.74
F792-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-
FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
A2EA40.7
ANN4-METHOXYBENZOIC ACIDA2B960.72
ANN4-METHOXYBENZOIC ACIDA2QUE0.72
ANN4-METHOXYBENZOIC ACIDA1SV30.72
ANN4-METHOXYBENZOIC ACIDA1O2E0.72
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.72
DMBA,B1SRI0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
R6GRHODAMINE 6GB2V3L0.71
ILBA2FPT0.7
MTBA,B1SRF0.74
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate
A,P,Q3D1F0.73
3FTA2BXV0.71
MOBA,B1SRH0.79
MHBA,B1SRG0.74
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.75
6CAA2FLM0.7
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.72
NABA,B1SRJ0.71
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.74
A055-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACIDA2Q950.77
44CA2FBR0.7
FNG5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-
D-GALACTOPYRANOSE
D,E,F,G,H1LLR0.75
2345-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-
3-CARBOXYLIC ACID
A1Q1M0.71
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.71
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.76