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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02401239

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.71
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.83
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.73
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.77
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.78
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.79
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.79
EJ54-[3-(2-amino-4-hydroxy-6-oxo-1,6-
dihydropyrimidin-5-yl)propyl]benzoic acid
X3EJ50.71
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.78
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.75
3AB3-aminobenzamideA,B,C,D3GOY0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.79
FA4SM-25453A,B2D1O0.72
FA4SM-25453A,B2D1N0.72
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.7
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.7
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.71
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE
B2FP70.72
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.73
S2DN-BENZOYL-D-ALANINEA,B2JCI0.72
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.72
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.7
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.71
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.72
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
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.71
V152-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-
4(3H)-ONE
A2V000.75
BHOBENZHYDROXAMIC ACIDA,B1GX20.79
BHOBENZHYDROXAMIC ACIDA1HSR0.79
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.79
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.79
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.79
BHOBENZHYDROXAMIC ACIDA3GCK0.79
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.79
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.72