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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02842902

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.76
271N-methyl-1-phenylmethanamineX2RBT0.82
34A3,4-DIMETHYLANILINEA1L4K0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.73
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
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
2HT3-methylbenzonitrileA,B3F880.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.86
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.89
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.89
B2FPHENYLALANINE BORONIC ACIDA,P1P060.89
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.89
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.89
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.82
ABNBENZYLAMINED,H2HXC0.85
ABNBENZYLAMINEA,I1A860.85
ABNBENZYLAMINEA1UTN0.85
ABNBENZYLAMINEA1N6X0.85
ABNBENZYLAMINEA2BZA0.85
ABNBENZYLAMINEA2EUS0.85
ABNBENZYLAMINEA1N6Y0.85
ABNBENZYLAMINEA1UTJ0.85
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.77
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.82
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.91
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72