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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02276225

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.72
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.71
271N-methyl-1-phenylmethanamineX2RBT0.8
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.76
2SK(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-
5-(METHYLTHIO)CYCLOPENTANE-1,2,3-
TRIOL
A2F7P0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.72
DPKDEPRENYLA,B2BYB0.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.71
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.79
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.76
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76