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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02667292

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
271N-methyl-1-phenylmethanamineX2RBT0.83
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.75
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.77
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
DPKDEPRENYLA,B2BYB0.76
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.72
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.72
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.76
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.72