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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03021221

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,D2BUA0.81
CPUA,B1CR60.73
271N-methyl-1-phenylmethanamineX2RBT0.82
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.7
DPKDEPRENYLA,B2BYB0.81
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.83
ABNBENZYLAMINED,H2HXC0.76
ABNBENZYLAMINEA,I1A860.76
ABNBENZYLAMINEA1UTN0.76
ABNBENZYLAMINEA1N6X0.76
ABNBENZYLAMINEA2BZA0.76
ABNBENZYLAMINEA2EUS0.76
ABNBENZYLAMINEA1N6Y0.76
ABNBENZYLAMINEA1UTJ0.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.79
B2FPHENYLALANINE BORONIC ACIDA,P1P060.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.79
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.79
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.79
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.8
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72