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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007181

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.7
RJ6N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamideA,B,C,D3DG80.73
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.72
4NL4-AMINOPHENOLA2ORL0.75
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.76
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.72
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.79
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.82
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.82
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.82
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.73
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.73
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.78
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.8
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.8
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.8
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.8
EDREDROPHONIUM IONA1AX90.71
EDREDROPHONIUM IONA2ACK0.71
2AF2-AMINOPHENOLA1L4N0.74
TN52-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOLA,B1ZW10.73
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.72