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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03034107

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.87
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.7
ANCANTHRACEN-1-YLAMINEA,B1HN20.7
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.88
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.76
2HT3-methylbenzonitrileA,B3F880.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.77
34A3,4-DIMETHYLANILINEA1L4K0.78
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.77
ABNBENZYLAMINED,H2HXC0.89
ABNBENZYLAMINEA,I1A860.89
ABNBENZYLAMINEA1UTN0.89
ABNBENZYLAMINEA1N6X0.89
ABNBENZYLAMINEA2BZA0.89
ABNBENZYLAMINEA2EUS0.89
ABNBENZYLAMINEA1N6Y0.89
ABNBENZYLAMINEA1UTJ0.89
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.83
B2FPHENYLALANINE BORONIC ACIDA,P1P060.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.83
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.83
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.88
271N-methyl-1-phenylmethanamineX2RBT0.86
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71