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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02667291

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DPKDEPRENYLA,B2BYB0.8
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.74
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.78
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.84
271N-methyl-1-phenylmethanamineX2RBT0.79
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.84
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.77
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.74
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.72
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.7
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.71
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.7
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.77
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.77
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.78
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.78
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.8
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74