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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00532909

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.71
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.73
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.71
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.71
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.85
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.85
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.85
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.72
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.72
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.72
4NC4-NITROCATECHOLA1NO30.74
4NC4-NITROCATECHOLB2BUU0.74
4NC4-NITROCATECHOLB2BUZ0.74
4NC4-NITROCATECHOLB1EOC0.74
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.79
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.79
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.75
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.75
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.73
DNC3,5-DINITROCATECHOLA3BWY0.73
DNC3,5-DINITROCATECHOLA3BWM0.73
DNC3,5-DINITROCATECHOLA1VID0.73
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.73
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.73
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.73
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
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.72
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.73
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.73
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.73
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.71
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.71
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.78
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.78
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.71
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.72
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.72
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.72
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.73