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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03330472

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A,B1R300.71
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A1DAM0.71
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A,B,C,D3FPA0.71
NSKN-SUCCINYL LYSINEA2P8B0.73
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B,C,D,E,F,
G,H
1T6P0.72
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B1T6J0.72
X7O5-AMINO-3-METHYL-PYRROLIDINE-2-
CARBOXYLIC ACID
A1L2Q0.72
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.75
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.73
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.73
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
A1K1O0.72
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
H,I1K210.72
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.79
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1AEC0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B2PRE0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1CV80.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A3C9E0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B3BCN0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1ATK0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D3BPF0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1TLO0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1QX60.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1MEG0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D2BDZ0.71
NC66-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACIDA1ZD40.76
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.77
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.77
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.77
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.77
CYKN-hexanoyl-L-homocysteineA3DHC0.72
NC44-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACIDA1ZD30.78
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE
A2BU90.71
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.72
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.72
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.72
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE
B2IVI0.71
NC3N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINEP1ZD20.81
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.72
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.72
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.7
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.79
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.78
PYHN~6~-{[(2R,3R)-3-METHYL-3,4-DIHYDRO-
2H-PYRROL-2-YL]CARBONYL}-L-LYSINE
A2ZCE0.71
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.79
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.76
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.76
SVCN-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE
A,B3BPM0.72
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.72
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.74
T662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
THYMINE
B1NR80.73
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.71
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID
A2HCG0.7
GLHN-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINEA,B,C,D,E,F,
G,H,I,J
2DB40.73
GLHN-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.73
GLHN-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINEA,B,C,D,E,F1E790.73
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.71
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
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.73
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.72
AN0N-ACETYL-L-NORVALINEA1ZQ80.72
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.73
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.73
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.73
C6LN-hexanoyl-L-homoserineA3DHA0.73
C6LN-hexanoyl-L-homoserineA3DHB0.73
SRG(2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-
dioxo-5-propan-2-yl-1,6-diazacyclododeca-
3,9-dien-8-yl]amino]-3-methyl-1-
oxo-butan-2-yl]carbamoylamino]-
3-methyl-butanoic acid
1,H,K,N,V,Y2ZCY0.72
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.74
NC77-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACIDA1ZD50.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.72
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.72