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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03495246

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.73
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,B1XE60.74
C6LN-hexanoyl-L-homoserineA3DHA0.76
C6LN-hexanoyl-L-homoserineA3DHB0.76
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.79
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE
A1XOE0.74
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.75
AMK(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-
1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-
CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-
HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-
ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-
BUTYRIC ACID
A,B,C1YM40.72
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A,B3HY70.72
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A,B2JIH0.72
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A1R550.72
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,C3DV10.79
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.74
AFJ(2R,4S,5S)-N-butyl-4-hydroxy-2,7-
dimethyl-5-{[N-(4-methylpentanoyl)-
L-methionyl]amino}octanamide
A,B,C3DUY0.71
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.71
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,B1XE50.73
DAA8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDEA1BS10.74
ALYN(6)-ACETYLLYSINEA,B2B4D0.75
ALYN(6)-ACETYLLYSINEA,B2OD90.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.75
ALYN(6)-ACETYLLYSINEA,B2B5G0.75
ALYN(6)-ACETYLLYSINEA2GIV0.75
ALYN(6)-ACETYLLYSINEB2RNY0.75
ALYN(6)-ACETYLLYSINEA1JSP0.75
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.75
ALYN(6)-ACETYLLYSINEA,D3D4B0.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.75
ALYN(6)-ACETYLLYSINEA,B2R0Y0.75
ALYN(6)-ACETYLLYSINEA3CZ70.75
ALYN(6)-ACETYLLYSINEA1JM40.75
ALYN(6)-ACETYLLYSINEA,B2H4H0.75
ALYN(6)-ACETYLLYSINEA,B2J6V0.75
ALYN(6)-ACETYLLYSINEA,B2R100.75
ALYN(6)-ACETYLLYSINEA,B1YC50.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.75
ALYN(6)-ACETYLLYSINEA,B2H2G0.75
ALYN(6)-ACETYLLYSINEA,D2H4F0.75
ALYN(6)-ACETYLLYSINEA2OU20.75
ALYN(6)-ACETYLLYSINEA,B1S5P0.75
ALYN(6)-ACETYLLYSINEB2RNW0.75
ALYN(6)-ACETYLLYSINEA3D350.75
ALYN(6)-ACETYLLYSINEA,B2OD20.75
ALYN(6)-ACETYLLYSINEA2ZFN0.75
ALYN(6)-ACETYLLYSINEC,D2C1J0.75
ALYN(6)-ACETYLLYSINEA,B2QQG0.75
ALYN(6)-ACETYLLYSINEB2RNX0.75
ALYN(6)-ACETYLLYSINEA,B1MA30.75
ALYN(6)-ACETYLLYSINEA,B2H2H0.75
ALYN(6)-ACETYLLYSINEA2I2Z0.75
ALYN(6)-ACETYLLYSINEA,B2OD70.75
ALYN(6)-ACETYLLYSINEP1E6I0.75
ALYN(6)-ACETYLLYSINEA,B1SZC0.75
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.75
ALYN(6)-ACETYLLYSINEA,B2H2D0.75
ALYN(6)-ACETYLLYSINEA,B1Q1A0.75
ALYN(6)-ACETYLLYSINEA,B1SZD0.75
ALYN(6)-ACETYLLYSINEQ,R2E3K0.75
ALYN(6)-ACETYLLYSINEA2OZU0.75
ALYN(6)-ACETYLLYSINEA,B2QQF0.75
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.75
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.79
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE
B2IVI0.72
BB2ACTINONINA,B,C,D3G5K0.73
BB2ACTINONINA,B,C1LRU0.73
BB2ACTINONINA,B2OKL0.73
BB2ACTINONINA2OS10.73
BB2ACTINONINA,B,C1G2A0.73
BB2ACTINONINA1Q1Y0.73
BB2ACTINONINA,B,C,D,E,F,
G,H
1SZZ0.73
BB2ACTINONINA1LQY0.73
BB2ACTINONINA2OS30.73
BB2ACTINONINA1LRY0.73
BB2ACTINONINA,B1IX10.73
BB2ACTINONINA1WS10.73
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.72
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.7