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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03024534

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.71
34A3,4-DIMETHYLANILINEA1L4K0.74
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.76
2631-(azidomethyl)-3-methylbenzeneX2RB20.78
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.82
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
271N-methyl-1-phenylmethanamineX2RBT0.81
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.78
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.8
4PH4-methyl-L-phenylalanineB,C3BV90.71
BAMBENZAMIDINEU1F5K0.7
BAMBENZAMIDINEX2BY80.7
BAMBENZAMIDINEB2PSM0.7
BAMBENZAMIDINEX2BY90.7
BAMBENZAMIDINEA1C1N0.7
BAMBENZAMIDINEX2BY60.7
BAMBENZAMIDINEH,I1C5O0.7
BAMBENZAMIDINEA1XX40.7
BAMBENZAMIDINEA1HJ80.7
BAMBENZAMIDINEA1C5P0.7
BAMBENZAMIDINEB1C5Z0.7
BAMBENZAMIDINEA,B1ZVW0.7
BAMBENZAMIDINEA2ANW0.7
BAMBENZAMIDINEA2ANY0.7
BAMBENZAMIDINEX2BYA0.7
BAMBENZAMIDINEA1TIO0.7
BAMBENZAMIDINEX2BY50.7
BAMBENZAMIDINEX2BY70.7
ABNBENZYLAMINED,H2HXC0.84
ABNBENZYLAMINEA,I1A860.84
ABNBENZYLAMINEA1UTN0.84
ABNBENZYLAMINEA1N6X0.84
ABNBENZYLAMINEA2BZA0.84
ABNBENZYLAMINEA2EUS0.84
ABNBENZYLAMINEA1N6Y0.84
ABNBENZYLAMINEA1UTJ0.84
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.88
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.88
B2FPHENYLALANINE BORONIC ACIDA,P1P060.88
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.88
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.88
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.75
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.75
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.75
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.79
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.76
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.77