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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03167552

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALYN(6)-ACETYLLYSINEA,B2B4D0.71
ALYN(6)-ACETYLLYSINEA,B2OD90.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.71
ALYN(6)-ACETYLLYSINEA,B2B5G0.71
ALYN(6)-ACETYLLYSINEA2GIV0.71
ALYN(6)-ACETYLLYSINEB2RNY0.71
ALYN(6)-ACETYLLYSINEA1JSP0.71
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.71
ALYN(6)-ACETYLLYSINEA,D3D4B0.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.71
ALYN(6)-ACETYLLYSINEA,B2R0Y0.71
ALYN(6)-ACETYLLYSINEA3CZ70.71
ALYN(6)-ACETYLLYSINEA1JM40.71
ALYN(6)-ACETYLLYSINEA,B2H4H0.71
ALYN(6)-ACETYLLYSINEA,B2J6V0.71
ALYN(6)-ACETYLLYSINEA,B2R100.71
ALYN(6)-ACETYLLYSINEA,B1YC50.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.71
ALYN(6)-ACETYLLYSINEA,B2H2G0.71
ALYN(6)-ACETYLLYSINEA,D2H4F0.71
ALYN(6)-ACETYLLYSINEA2OU20.71
ALYN(6)-ACETYLLYSINEA,B1S5P0.71
ALYN(6)-ACETYLLYSINEB2RNW0.71
ALYN(6)-ACETYLLYSINEA3D350.71
ALYN(6)-ACETYLLYSINEA,B2OD20.71
ALYN(6)-ACETYLLYSINEA2ZFN0.71
ALYN(6)-ACETYLLYSINEC,D2C1J0.71
ALYN(6)-ACETYLLYSINEA,B2QQG0.71
ALYN(6)-ACETYLLYSINEB2RNX0.71
ALYN(6)-ACETYLLYSINEA,B1MA30.71
ALYN(6)-ACETYLLYSINEA,B2H2H0.71
ALYN(6)-ACETYLLYSINEA2I2Z0.71
ALYN(6)-ACETYLLYSINEA,B2OD70.71
ALYN(6)-ACETYLLYSINEP1E6I0.71
ALYN(6)-ACETYLLYSINEA,B1SZC0.71
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.71
ALYN(6)-ACETYLLYSINEA,B2H2D0.71
ALYN(6)-ACETYLLYSINEA,B1Q1A0.71
ALYN(6)-ACETYLLYSINEA,B1SZD0.71
ALYN(6)-ACETYLLYSINEQ,R2E3K0.71
ALYN(6)-ACETYLLYSINEA2OZU0.71
ALYN(6)-ACETYLLYSINEA,B2QQF0.71
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.71
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.76
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE
A2GGB0.73
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER
A,B1ME60.76
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.7
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.83
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.83
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.83
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.73
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.71
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.72
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.82
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.75
NLGN-ACETYL-L-GLUTAMATEA1OH90.7
NLGN-ACETYL-L-GLUTAMATEA1OHA0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.7
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.7
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.7
NLGN-ACETYL-L-GLUTAMATEA3B8G0.7
NLGN-ACETYL-L-GLUTAMATEA1GS50.7
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.7
DTHD-THREONINEA1KRO0.71
DTHD-THREONINEA,B,C,D3BOG0.71
DTHD-THREONINEA,B173D0.71
DTHD-THREONINEA209D0.71
DTHD-THREONINEA316D0.71
DTHD-THREONINEA,B2Q330.71
DTHD-THREONINEA2JUE0.71
DTHD-THREONINEA2D550.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.73
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.71
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.71
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.74
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,B1XE60.77
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.76
NSKN-SUCCINYL LYSINEA2P8B0.7
DSEN-METHYL-D-SERINEC1CWH0.73
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,B1XE50.76
HY33-HYDROXYPROLINEA,B,G2G660.71
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.73
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.71
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
PAUPANTOTHENOIC ACIDA,B2F9W0.74
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.74
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.74
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.74
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.71
C6LN-hexanoyl-L-homoserineA3DHA0.77
C6LN-hexanoyl-L-homoserineA3DHB0.77
N10O-[(HEXYLAMINO)CARBONYL]-L-SERINEA,B,C,D,E,F,
G,H
2Q0S0.74
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.7
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.7
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.7
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.71
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.83
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.83
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.83
SACN-ACETYL-SERINEA1R4U0.83
SACN-ACETYL-SERINEA,B,C,D1WS30.83
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.83
SACN-ACETYL-SERINEA,B1EVU0.83
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.83
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.83
SACN-ACETYL-SERINEA1WRR0.83
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.83
SACN-ACETYL-SERINEA,B3CVQ0.83
SACN-ACETYL-SERINEA1B0B0.83
SACN-ACETYL-SERINEA1XT40.83
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.83
SACN-ACETYL-SERINEA2FXL0.83
SACN-ACETYL-SERINEA1R4S0.83
SACN-ACETYL-SERINEA,B,C,D1WS20.83
SACN-ACETYL-SERINEA,B,C,D2AUC0.83
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.83
SACN-ACETYL-SERINEA1R510.83
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.83
SACN-ACETYL-SERINEA,B,C,D1XXJ0.83
SACN-ACETYL-SERINET2QAC0.83
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.83
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.83
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.83
BG1O-[(2S)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-
L-serine
A2RG30.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1AEC0.74
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B2PRE0.74
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1CV80.74
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A3C9E0.74
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B3BCN0.74
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1ATK0.74
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D3BPF0.74
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1TLO0.74
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1QX60.74
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1MEG0.74
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D2BDZ0.74
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID
A2HCG0.78
L4C(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-
CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID
A,B2JE50.71
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.71
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.71
F34N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-
3-yl]acetamide
A,B2W670.71
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.75
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.71
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.71
LLYNZ-(DICARBOXYMETHYL)LYSINEA,B1UCW0.72
AYAN-ACETYLALANINEA1D0W0.71
AYAN-ACETYLALANINEA1AH40.71
AYAN-ACETYLALANINEA,B1VBP0.71
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.71
AYAN-ACETYLALANINEA,B,C,D1OUW0.71
AYAN-ACETYLALANINEA1AH30.71
AYAN-ACETYLALANINEA1EKO0.71
AYAN-ACETYLALANINEB,D,F,H2V4I0.71
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.71
AYAN-ACETYLALANINEA,B,C,D1J4U0.71
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.72
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.76
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.71
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
A3EMY0.73
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
A2H6T0.73
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,B1LS50.73
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,B1SME0.73
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,C1W6I0.73
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,B1XDH0.73
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,B2QZX0.73
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
A1IZE0.73
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,B1M430.73
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.9
THCN-METHYLCARBONYLTHREONINEB2HR00.9
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.9
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.9
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID
A1DRT0.77
ALOALLO-THREONINEI,P1HDT0.71
ALOALLO-THREONINEA2JUU0.71
ALOALLO-THREONINEA2VMX0.71
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.74