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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02175452

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
DPKDEPRENYLA,B2BYB0.8
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.86
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
271N-methyl-1-phenylmethanamineX2RBT0.79
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.73
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.75
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.75
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.83
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.7
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.71
BZZBENZYLHYDRAZINEA,B2E2V0.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.77
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
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.7
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.76