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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01875124

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.71
CCLN~6~-[(CYCLOPENTYLOXY)CARBONYL]-
D-LYSINE		A2Q7G0.71
PNS4'-PHOSPHOPANTETHEINEA,B1QJC0.7
PNS4'-PHOSPHOPANTETHEINEA2FVA0.7
PNS4'-PHOSPHOPANTETHEINEA,B,C,D,E,F1VLH0.7
PNS4'-PHOSPHOPANTETHEINEA2KJS0.7
PNS4'-PHOSPHOPANTETHEINEA1OD60.7
PNS4'-PHOSPHOPANTETHEINEA,B3GZM0.7
PNS4'-PHOSPHOPANTETHEINEA2FQ20.7
PNS4'-PHOSPHOPANTETHEINEA2FVF0.7
PNS4'-PHOSPHOPANTETHEINEA,B1H1T0.7
PNS4'-PHOSPHOPANTETHEINEA2K0X0.7
PNS4'-PHOSPHOPANTETHEINEA2FQ00.7
PNS4'-PHOSPHOPANTETHEINEA3GZL0.7
C6LN-hexanoyl-L-homoserineA3DHA0.76
C6LN-hexanoyl-L-homoserineA3DHB0.76
NSKN-SUCCINYL LYSINEA2P8B0.74
SXHS-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanyl}amino)ethyl] hexanethioate		A2KGA0.7
PN5(3R)-3-hydroxy-2,2-dimethyl-4-oxo-
4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-
dimethylpropanoate		A,B2VU20.77
PAZN-[(2R)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanine		A,B,C,D,E,F3BF30.79
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.72
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B3HY70.7
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B2JIH0.7
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A1R550.7
MDZN~6~-METHYL-6-OXO-L-LYSINE - 2-
[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID		A1W3V0.7
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.72
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.7
PAUPANTOTHENOIC ACIDA,B2F9W0.87
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.87
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.87
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.87
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.74
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.71
PM4S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-
3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE		A,B2FAC0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.71
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine		A2VE10.7
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine		A2VCM0.7
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.74
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE		A2DC80.7
XDLXYLOSE-DERIVED ISOFAGOMINE LACTAMA1OD80.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A3EMY0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A2H6T0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1LS50.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1SME0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,C1W6I0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1XDH0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B2QZX0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A1IZE0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1M430.7
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.81
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.77
OCVN6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOMETHYL)-2-OXOETHYL]-
6-OXO-D-LYSINE		A1HB10.7
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.75
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.74
ALYN(6)-ACETYLLYSINEA,B2B4D0.73
ALYN(6)-ACETYLLYSINEA,B2OD90.73
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.73
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.73
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.73
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.73
ALYN(6)-ACETYLLYSINEA,B2B5G0.73
ALYN(6)-ACETYLLYSINEA2GIV0.73
ALYN(6)-ACETYLLYSINEB2RNY0.73
ALYN(6)-ACETYLLYSINEA1JSP0.73
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.73
ALYN(6)-ACETYLLYSINEA,D3D4B0.73
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.73
ALYN(6)-ACETYLLYSINEA,B2R0Y0.73
ALYN(6)-ACETYLLYSINEA3CZ70.73
ALYN(6)-ACETYLLYSINEA1JM40.73
ALYN(6)-ACETYLLYSINEA,B2H4H0.73
ALYN(6)-ACETYLLYSINEA,B2J6V0.73
ALYN(6)-ACETYLLYSINEA,B2R100.73
ALYN(6)-ACETYLLYSINEA,B1YC50.73
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.73
ALYN(6)-ACETYLLYSINEA,B2H2G0.73
ALYN(6)-ACETYLLYSINEA,D2H4F0.73
ALYN(6)-ACETYLLYSINEA2OU20.73
ALYN(6)-ACETYLLYSINEA,B1S5P0.73
ALYN(6)-ACETYLLYSINEB2RNW0.73
ALYN(6)-ACETYLLYSINEA3D350.73
ALYN(6)-ACETYLLYSINEA,B2OD20.73
ALYN(6)-ACETYLLYSINEA2ZFN0.73
ALYN(6)-ACETYLLYSINEC,D2C1J0.73
ALYN(6)-ACETYLLYSINEA,B2QQG0.73
ALYN(6)-ACETYLLYSINEB2RNX0.73
ALYN(6)-ACETYLLYSINEA,B1MA30.73
ALYN(6)-ACETYLLYSINEA,B2H2H0.73
ALYN(6)-ACETYLLYSINEA2I2Z0.73
ALYN(6)-ACETYLLYSINEA,B2OD70.73
ALYN(6)-ACETYLLYSINEP1E6I0.73
ALYN(6)-ACETYLLYSINEA,B1SZC0.73
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L		3EWF0.73
ALYN(6)-ACETYLLYSINEA,B2H2D0.73
ALYN(6)-ACETYLLYSINEA,B1Q1A0.73
ALYN(6)-ACETYLLYSINEA,B1SZD0.73
ALYN(6)-ACETYLLYSINEQ,R2E3K0.73
ALYN(6)-ACETYLLYSINEA2OZU0.73
ALYN(6)-ACETYLLYSINEA,B2QQF0.73
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.73
UDC(2S,3S)-2-((2S,3R,4S,5R)-5-ETHANAMIDO-
3-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-4-YLOXY)-3,4-DIHYDROXY-
2-METHYLBUTANOIC ACID		A,B,C,D2Z2C0.73
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.72
PCO2,4-DIHYDROXY-N-[2-(2-MERCAPTO-
VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-
BUTYRAMIDE		A1MVN0.7
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.71
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.83
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.74