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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03462834

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.85
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.85
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.85
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.84
1MRN-METHYLANILINEX2OTZ0.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.78
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.8
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.83
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.8
BAMBENZAMIDINEU1F5K0.72
BAMBENZAMIDINEX2BY80.72
BAMBENZAMIDINEB2PSM0.72
BAMBENZAMIDINEX2BY90.72
BAMBENZAMIDINEA1C1N0.72
BAMBENZAMIDINEX2BY60.72
BAMBENZAMIDINEH,I1C5O0.72
BAMBENZAMIDINEA1XX40.72
BAMBENZAMIDINEA1HJ80.72
BAMBENZAMIDINEA1C5P0.72
BAMBENZAMIDINEB1C5Z0.72
BAMBENZAMIDINEA,B1ZVW0.72
BAMBENZAMIDINEA2ANW0.72
BAMBENZAMIDINEA2ANY0.72
BAMBENZAMIDINEX2BYA0.72
BAMBENZAMIDINEA1TIO0.72
BAMBENZAMIDINEX2BY50.72
BAMBENZAMIDINEX2BY70.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.7
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.82
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.73
ABNBENZYLAMINED,H2HXC0.86
ABNBENZYLAMINEA,I1A860.86
ABNBENZYLAMINEA1UTN0.86
ABNBENZYLAMINEA1N6X0.86
ABNBENZYLAMINEA2BZA0.86
ABNBENZYLAMINEA2EUS0.86
ABNBENZYLAMINEA1N6Y0.86
ABNBENZYLAMINEA1UTJ0.86
34A3,4-DIMETHYLANILINEA1L4K0.71
264(phenylamino)acetonitrileA2RBN0.72
271N-methyl-1-phenylmethanamineX2RBT0.95
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.8
B2FPHENYLALANINE BORONIC ACIDA,P1P060.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.8
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.8