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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02301223

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.77
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.74
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.7
BHOBENZHYDROXAMIC ACIDA,B1GX20.78
BHOBENZHYDROXAMIC ACIDA1HSR0.78
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.78
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.78
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.78
BHOBENZHYDROXAMIC ACIDA3GCK0.78
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.78
3AB3-aminobenzamideA,B,C,D3GOY0.73
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.7
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.7
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.71
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.84
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.76
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.79
V152-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-
4(3H)-ONE
A2V000.72
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.72
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.72
NKKN~2~-(naphthalen-2-ylcarbonyl)-
L-lysyl-N-[(1S)-4-carbamimidamido-
1-formylbutyl]-L-lysinamide
B,D3E900.71
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.77
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE
B2FP70.73
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.77
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.72
EJ54-[3-(2-amino-4-hydroxy-6-oxo-1,6-
dihydropyrimidin-5-yl)propyl]benzoic acid
X3EJ50.7
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.76
FA4SM-25453A,B2D1O0.73
FA4SM-25453A,B2D1N0.73
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.72