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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01892245

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.75
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.75
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.7
B2FPHENYLALANINE BORONIC ACIDA,P1P060.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.7
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.7
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.77
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
DPKDEPRENYLA,B2BYB0.75
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.7
CPUA,B1CR60.71
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.71
271N-methyl-1-phenylmethanamineX2RBT0.78
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.71
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.75
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75