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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03612032

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
BAMBENZAMIDINEU1F5K0.71
BAMBENZAMIDINEX2BY80.71
BAMBENZAMIDINEB2PSM0.71
BAMBENZAMIDINEX2BY90.71
BAMBENZAMIDINEA1C1N0.71
BAMBENZAMIDINEX2BY60.71
BAMBENZAMIDINEH,I1C5O0.71
BAMBENZAMIDINEA1XX40.71
BAMBENZAMIDINEA1HJ80.71
BAMBENZAMIDINEA1C5P0.71
BAMBENZAMIDINEB1C5Z0.71
BAMBENZAMIDINEA,B1ZVW0.71
BAMBENZAMIDINEA2ANW0.71
BAMBENZAMIDINEA2ANY0.71
BAMBENZAMIDINEX2BYA0.71
BAMBENZAMIDINEA1TIO0.71
BAMBENZAMIDINEX2BY50.71
BAMBENZAMIDINEX2BY70.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.76
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.79
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.82
264(phenylamino)acetonitrileA2RBN0.71
271N-methyl-1-phenylmethanamineX2RBT0.94
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.8
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.79
B2FPHENYLALANINE BORONIC ACIDA,P1P060.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.79
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.79
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.83
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.83
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.83
ABNBENZYLAMINED,H2HXC0.84
ABNBENZYLAMINEA,I1A860.84
ABNBENZYLAMINEA1UTN0.84
ABNBENZYLAMINEA1N6X0.84
ABNBENZYLAMINEA2BZA0.84
ABNBENZYLAMINEA2EUS0.84
ABNBENZYLAMINEA1N6Y0.84
ABNBENZYLAMINEA1UTJ0.84
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.72
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.81
34A3,4-DIMETHYLANILINEA1L4K0.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.79
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
1MRN-METHYLANILINEX2OTZ0.71