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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00442462

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.74
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.74
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.7
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.7
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.75
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.8
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.73
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.72
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.71
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.7
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.7
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.72
2AF2-AMINOPHENOLA1L4N0.73