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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00442461

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.73
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.73
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.71
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.7
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.75
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.75
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.75
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.73
EDREDROPHONIUM IONA1AX90.7
EDREDROPHONIUM IONA2ACK0.7
T1D5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-
THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
A2BGD0.7
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.71
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.8
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.75
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.73
2AF2-AMINOPHENOLA1L4N0.74
2AC2-AMINO-P-CRESOLH,I1A2C0.7
2AC2-AMINO-P-CRESOLA1L4M0.7
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.7
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.7
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.7
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.72
4NL4-AMINOPHENOLA2ORL0.71
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.72