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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02861719

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
BZZBENZYLHYDRAZINEA,B2E2V0.75
ABNBENZYLAMINED,H2HXC0.82
ABNBENZYLAMINEA,I1A860.82
ABNBENZYLAMINEA1UTN0.82
ABNBENZYLAMINEA1N6X0.82
ABNBENZYLAMINEA2BZA0.82
ABNBENZYLAMINEA2EUS0.82
ABNBENZYLAMINEA1N6Y0.82
ABNBENZYLAMINEA1UTJ0.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.86
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.86
B2FPHENYLALANINE BORONIC ACIDA,P1P060.86
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.86
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.86
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
34A3,4-DIMETHYLANILINEA1L4K0.72
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.8
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.83
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
271N-methyl-1-phenylmethanamineX2RBT0.77
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.75
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.92