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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03345204

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
9AP9-AMINOPHENANTHRENEA1EGY0.72
271N-methyl-1-phenylmethanamineX2RBT0.83
2631-(azidomethyl)-3-methylbenzeneX2RB20.85
34A3,4-DIMETHYLANILINEA1L4K0.75
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
ANCANTHRACEN-1-YLAMINEA,B1GT10.73
ANCANTHRACEN-1-YLAMINEA,B1HN20.73
AN3ANTHRACENEA,B2HMN0.71
AN3ANTHRACENEA,B2HMM0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.78
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
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
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.76
ABNBENZYLAMINED,H2HXC0.86
ABNBENZYLAMINEA,I1A860.86
ABNBENZYLAMINEA1UTN0.86
ABNBENZYLAMINEA1N6X0.86
ABNBENZYLAMINEA2BZA0.86
ABNBENZYLAMINEA2EUS0.86
ABNBENZYLAMINEA1N6Y0.86
ABNBENZYLAMINEA1UTJ0.86
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.85
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.84
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75