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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00896046

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D1Z2B0.74
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D3DU70.74
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,G3EDL0.74
CN22-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-
9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-
7-YL]ACETAMIDE
A,B,C,D1SA00.74
LOCN-[(7S)-1,2,3,10-tetramethoxy-9-
oxo-6,7-dihydro-5H-benzo[d]heptalen-
7-yl]ethanamide
A,B,C,D3E220.71
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,B1Z1R0.71
DRRA,B3BXR0.73
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.7
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,C2HIZ0.71
MC1METHICILLIN ACYL-SERINEA,B1MWU0.73
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid
A,B3BXS0.7
32P3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-
5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE
A1TQF0.74
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.7
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.7
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL20.73
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL10.73
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE
A,B1D8M0.74
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE
A,B1G050.74
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.73
MZ9N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(4-METHOXYPHENYL)SULFONYL][(2S)-
2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE
A,B2QI70.74
F1LN-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJL0.74
MUUN-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-
METHOXYPHENYL)SULFONYL]AMINO}-2-
HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE
A,B2PSU0.74
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.7
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJI0.89
189N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-
N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-
3-YL)METHYL]ACETAMIDE
A,B1XL20.72
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.74
AGGTIROFIBANA,B2VDM0.76
MO9(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-
(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-
2-OXOETHYL MORPHOLINE-4-CARBOXYLATE
A,B2G7Y0.72
NOQ(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-
METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
A2F7D0.75
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE
A1FBL0.73
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.7
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