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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00709910

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.86
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.78
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.82
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.82
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
DPKDEPRENYLA,B2BYB0.83
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.77
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.77
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.75
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.72
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.73
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.73
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.81
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.75
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.75
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.75
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.74
HPHPHENYLALANINDIOLI1E5O0.71
HPHPHENYLALANINDIOLA,B1ODX0.71
HPHPHENYLALANINDIOLA,B1MTB0.71
HPHPHENYLALANINDIOLA,B2FGV0.71
HPHPHENYLALANINDIOLA1ODW0.71
HPHPHENYLALANINDIOLA,B2FGU0.71
HPHPHENYLALANINDIOLA,B1HXB0.71
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.71
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.71
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9R0.7
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9U0.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.76
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.72
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.7
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.74
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.72
271N-methyl-1-phenylmethanamineX2RBT0.78
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.75
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.75
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72
PHLL-PHENYLALANINOLA,B1JOH0.74
PHLL-PHENYLALANINOLI3APR0.74
PHLL-PHENYLALANINOLA1DLZ0.74
PHLL-PHENYLALANINOLA1IH90.74
PHLL-PHENYLALANINOLA1OB40.74
PHLL-PHENYLALANINOLI2ER60.74
PHLL-PHENYLALANINOLA1R9U0.74
PHLL-PHENYLALANINOLA1OB70.74
PHLL-PHENYLALANINOLA,B1OB60.74
PHLL-PHENYLALANINOLA,B,C1AMT0.74
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74