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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03018048

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.8
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.73
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.73
F34N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-
3-yl]acetamide
A,B2W670.75
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.74
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.81
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.74
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.74
NSKN-SUCCINYL LYSINEA2P8B0.74
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.77
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.77
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.7
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.74
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.72
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.7
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.7
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.83
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.74
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.7
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.71
CYKN-hexanoyl-L-homocysteineA3DHC0.7
ALYN(6)-ACETYLLYSINEA,B2B4D0.78
ALYN(6)-ACETYLLYSINEA,B2OD90.78
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.78
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.78
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.78
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.78
ALYN(6)-ACETYLLYSINEA,B2B5G0.78
ALYN(6)-ACETYLLYSINEA2GIV0.78
ALYN(6)-ACETYLLYSINEB2RNY0.78
ALYN(6)-ACETYLLYSINEA1JSP0.78
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.78
ALYN(6)-ACETYLLYSINEA,D3D4B0.78
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.78
ALYN(6)-ACETYLLYSINEA,B2R0Y0.78
ALYN(6)-ACETYLLYSINEA3CZ70.78
ALYN(6)-ACETYLLYSINEA1JM40.78
ALYN(6)-ACETYLLYSINEA,B2H4H0.78
ALYN(6)-ACETYLLYSINEA,B2J6V0.78
ALYN(6)-ACETYLLYSINEA,B2R100.78
ALYN(6)-ACETYLLYSINEA,B1YC50.78
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.78
ALYN(6)-ACETYLLYSINEA,B2H2G0.78
ALYN(6)-ACETYLLYSINEA,D2H4F0.78
ALYN(6)-ACETYLLYSINEA2OU20.78
ALYN(6)-ACETYLLYSINEA,B1S5P0.78
ALYN(6)-ACETYLLYSINEB2RNW0.78
ALYN(6)-ACETYLLYSINEA3D350.78
ALYN(6)-ACETYLLYSINEA,B2OD20.78
ALYN(6)-ACETYLLYSINEA2ZFN0.78
ALYN(6)-ACETYLLYSINEC,D2C1J0.78
ALYN(6)-ACETYLLYSINEA,B2QQG0.78
ALYN(6)-ACETYLLYSINEB2RNX0.78
ALYN(6)-ACETYLLYSINEA,B1MA30.78
ALYN(6)-ACETYLLYSINEA,B2H2H0.78
ALYN(6)-ACETYLLYSINEA2I2Z0.78
ALYN(6)-ACETYLLYSINEA,B2OD70.78
ALYN(6)-ACETYLLYSINEP1E6I0.78
ALYN(6)-ACETYLLYSINEA,B1SZC0.78
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.78
ALYN(6)-ACETYLLYSINEA,B2H2D0.78
ALYN(6)-ACETYLLYSINEA,B1Q1A0.78
ALYN(6)-ACETYLLYSINEA,B1SZD0.78
ALYN(6)-ACETYLLYSINEQ,R2E3K0.78
ALYN(6)-ACETYLLYSINEA2OZU0.78
ALYN(6)-ACETYLLYSINEA,B2QQF0.78
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.78
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.73
AN0N-ACETYL-L-NORVALINEA1ZQ80.73
LCXCARBOXYLATED LYSINEA,B2OB30.76
LCXCARBOXYLATED LYSINEA3C860.76
LCXCARBOXYLATED LYSINEA2ICS0.76
LCXCARBOXYLATED LYSINEA,B3E3H0.76
LCXCARBOXYLATED LYSINEA,B,K,P3CS20.76
LCXCARBOXYLATED LYSINEA,B,C,D,E,F2OGJ0.76
LCXCARBOXYLATED LYSINEA,B2OQL0.76
LCXCARBOXYLATED LYSINEA2GC60.76
LCXCARBOXYLATED LYSINEA,B3CAK0.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.71
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.7
C6LN-hexanoyl-L-homoserineA3DHA0.77
C6LN-hexanoyl-L-homoserineA3DHB0.77
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.8
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,C3DV10.72
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.7
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.7
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.74
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.74
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.74
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.74
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.81
SVCN-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE
A,B3BPM0.73
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide
2,H,K,N,V,Y3D290.7