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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006277

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NC4-NITROCATECHOLA1NO30.7
4NC4-NITROCATECHOLB2BUU0.7
4NC4-NITROCATECHOLB2BUZ0.7
4NC4-NITROCATECHOLB1EOC0.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.73
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.74
4NL4-AMINOPHENOLA2ORL0.78
RJ6N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamideA,B,C,D3DG80.72
2AF2-AMINOPHENOLA1L4N0.77
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.7
EDREDROPHONIUM IONA1AX90.71
EDREDROPHONIUM IONA2ACK0.71
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.74