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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03061433

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
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.75
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.83
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.76
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.71
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.77
ABNBENZYLAMINED,H2HXC0.79
ABNBENZYLAMINEA,I1A860.79
ABNBENZYLAMINEA1UTN0.79
ABNBENZYLAMINEA1N6X0.79
ABNBENZYLAMINEA2BZA0.79
ABNBENZYLAMINEA2EUS0.79
ABNBENZYLAMINEA1N6Y0.79
ABNBENZYLAMINEA1UTJ0.79
BNFN-BENZYLFORMAMIDEA,B1U3U0.8
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.76
B2FPHENYLALANINE BORONIC ACIDA,P1P060.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.76
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
271N-methyl-1-phenylmethanamineX2RBT0.86
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74