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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02122708

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.7
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.75
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.76
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.76
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.76
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.76
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.76
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.73
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.7
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.7
DPKDEPRENYLA,B2BYB0.7
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.73