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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00635565

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MZ4N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(3-METHOXYPHENYL)SULFONYL](2-
THIENYLMETHYL)AMINO}PROPYL]-3,4-
DIHYDROXYBENZAMIDE
A,B2QI10.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.7
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.72
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.72
DRRA,B3BXR0.74
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE
C,O2V100.72
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.71
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D1Z2B0.75
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D3DU70.75
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,D,F,G3EDL0.75
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D1SA00.75
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL20.76
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL10.76
NOQ(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-
METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
A2F7D0.8
190N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-
BROMOPHENYL)SULFONYL]-6-METHYL-
2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE
A,B1XL50.7
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.8
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.71
C41ALISKIRENC,O2V0Z0.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.71
DPDA,B1QIW0.74
DPDA1QIV0.74
F1LN-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJL0.74
GGO(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-
5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-
2-ONE
B2OQI0.73
LIJBENZYL [(1S)-2-({(1S,2R)-1-BENZYL-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-
2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE
A,B,C2HIZ0.73
HBH2-[(8S,11S)-11-{(1R)-1-HYDROXY-
2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-
6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-
1(15),13,16-TRIEN-8-YL]ACETAMIDE
A,B1Z1R0.7
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJI0.73
LOCN-[(7S)-1,2,3,10-tetramethoxy-9-
oxo-6,7-dihydro-5H-benzo[d]heptalen-
7-yl]ethanamide
A,B,C,D3E220.72
MUUN-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-
METHOXYPHENYL)SULFONYL]AMINO}-2-
HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE
A,B2PSU0.73
TDZ(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-
TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-
2,4-DIONE
A,B2QM90.71
TDZ(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-
TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-
2,4-DIONE
A2VN00.71
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE
A1FBL0.72
MZ9N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(4-METHOXYPHENYL)SULFONYL][(2S)-
2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE
A,B2QI70.73
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.78
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)
A2VJ80.71
K214-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-
7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-
BENZOTHIAZEPINE
A,B1HAK0.78
DYSS-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-
L-cysteine
B2R1T0.7
ROLROLIPRAMA,B,C,D1OYN0.78
ROLROLIPRAMA,B1XMY0.78
ROLROLIPRAMA,B,C,D1Q9M0.78
ROLROLIPRAMA,B1RO60.78
ROLROLIPRAMA,B1XN00.78
ROLROLIPRAMA,B1TBB0.78
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.7
MO9(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-
(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-
2-OXOETHYL MORPHOLINE-4-CARBOXYLATE
A,B2G7Y0.7
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.72
HBBN-{(2R)-2-HYDROXY-2-[(8S,11S)-8-
ISOPROPYL-6,9-DIOXO-2-OXA-7,10-
DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-
TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE
A,B1Z1H0.72