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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008488

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,B2ZK50.72
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.8
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.76
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.73
DMBA,B1SRI0.7
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.71
DPAA,B1PIK0.75
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.7
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.7
RDE2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-
CHLORO-2,4-DIHYDROXYBENZOATE
A,B2FYP0.73
RDE2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-
CHLORO-2,4-DIHYDROXYBENZOATE
A1ZWH0.73
HABA,B1SRE0.72
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.77
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.72
VXXVANILLATEA,B1WB60.73
SYRSYRINGATEA,B1WB50.72
FNG5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-
D-GALACTOPYRANOSE
D,E,F,G,H1LLR0.77
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.72
9AR9-HYDROXY ARISTOLOCHIC ACIDA,B1FV00.78
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.71
MOBA,B1SRH0.83
MHBA,B1SRG0.72
OXIOXOLINIC ACIDA,B1KSE0.76
A055-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACIDA2Q950.72
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.76