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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03927448

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.77
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.71
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.71
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.73
ALYN(6)-ACETYLLYSINEA,B2B4D0.8
ALYN(6)-ACETYLLYSINEA,B2OD90.8
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.8
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.8
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.8
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.8
ALYN(6)-ACETYLLYSINEA,B2B5G0.8
ALYN(6)-ACETYLLYSINEA2GIV0.8
ALYN(6)-ACETYLLYSINEB2RNY0.8
ALYN(6)-ACETYLLYSINEA1JSP0.8
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.8
ALYN(6)-ACETYLLYSINEA,D3D4B0.8
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.8
ALYN(6)-ACETYLLYSINEA,B2R0Y0.8
ALYN(6)-ACETYLLYSINEA3CZ70.8
ALYN(6)-ACETYLLYSINEA1JM40.8
ALYN(6)-ACETYLLYSINEA,B2H4H0.8
ALYN(6)-ACETYLLYSINEA,B2J6V0.8
ALYN(6)-ACETYLLYSINEA,B2R100.8
ALYN(6)-ACETYLLYSINEA,B1YC50.8
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.8
ALYN(6)-ACETYLLYSINEA,B2H2G0.8
ALYN(6)-ACETYLLYSINEA,D2H4F0.8
ALYN(6)-ACETYLLYSINEA2OU20.8
ALYN(6)-ACETYLLYSINEA,B1S5P0.8
ALYN(6)-ACETYLLYSINEB2RNW0.8
ALYN(6)-ACETYLLYSINEA3D350.8
ALYN(6)-ACETYLLYSINEA,B2OD20.8
ALYN(6)-ACETYLLYSINEA2ZFN0.8
ALYN(6)-ACETYLLYSINEC,D2C1J0.8
ALYN(6)-ACETYLLYSINEA,B2QQG0.8
ALYN(6)-ACETYLLYSINEB2RNX0.8
ALYN(6)-ACETYLLYSINEA,B1MA30.8
ALYN(6)-ACETYLLYSINEA,B2H2H0.8
ALYN(6)-ACETYLLYSINEA2I2Z0.8
ALYN(6)-ACETYLLYSINEA,B2OD70.8
ALYN(6)-ACETYLLYSINEP1E6I0.8
ALYN(6)-ACETYLLYSINEA,B1SZC0.8
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.8
ALYN(6)-ACETYLLYSINEA,B2H2D0.8
ALYN(6)-ACETYLLYSINEA,B1Q1A0.8
ALYN(6)-ACETYLLYSINEA,B1SZD0.8
ALYN(6)-ACETYLLYSINEQ,R2E3K0.8
ALYN(6)-ACETYLLYSINEA2OZU0.8
ALYN(6)-ACETYLLYSINEA,B2QQF0.8
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.8
5FE5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID METHYL ESTER
A,B1XE50.79
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.76
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.73
AN0N-ACETYL-L-NORVALINEA1ZQ80.73
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide
A,B,C3DV10.74
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.73
5FP5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID
A,B1XE60.8
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.75
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.74
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE
B2IVI0.72
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.8
C6LN-hexanoyl-L-homoserineA3DHA0.84
C6LN-hexanoyl-L-homoserineA3DHB0.84
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.71
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A,B3HY70.76
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A,B2JIH0.76
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A1R550.76
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.72
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.72
2NCN-{(2S)-2-[(N-acetyl-L-threonyl-
L-isoleucyl)amino]hexyl}-L-norleucyl-
L-glutaminyl-L-argininamide
A,B3BVA0.71