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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03229211

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.71
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.85
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.85
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.85
SACN-ACETYL-SERINEA1R4U0.85
SACN-ACETYL-SERINEA,B,C,D1WS30.85
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H		1XY30.85
SACN-ACETYL-SERINEA,B1EVU0.85
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H		1R560.85
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.85
SACN-ACETYL-SERINEA1WRR0.85
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.85
SACN-ACETYL-SERINEA,B3CVQ0.85
SACN-ACETYL-SERINEA1B0B0.85
SACN-ACETYL-SERINEA1XT40.85
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.85
SACN-ACETYL-SERINEA2FXL0.85
SACN-ACETYL-SERINEA1R4S0.85
SACN-ACETYL-SERINEA,B,C,D1WS20.85
SACN-ACETYL-SERINEA,B,C,D2AUC0.85
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.85
SACN-ACETYL-SERINEA1R510.85
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.85
SACN-ACETYL-SERINEA,B,C,D1XXJ0.85
SACN-ACETYL-SERINET2QAC0.85
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.85
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
AYAN-ACETYLALANINEA1D0W0.74
AYAN-ACETYLALANINEA1AH40.74
AYAN-ACETYLALANINEA,B1VBP0.74
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H		1J4T0.74
AYAN-ACETYLALANINEA,B,C,D1OUW0.74
AYAN-ACETYLALANINEA1AH30.74
AYAN-ACETYLALANINEA1EKO0.74
AYAN-ACETYLALANINEB,D,F,H2V4I0.74
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H		1VBO0.74
AYAN-ACETYLALANINEA,B,C,D1J4U0.74
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.71
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
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		A3EMY0.71
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		A2H6T0.71
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		A,B1LS50.71
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		A,B1SME0.71
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		A,C1W6I0.71
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		A,B1XDH0.71
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		A,B2QZX0.71
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		A1IZE0.71
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		A,B1M430.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.7
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE		A2DCA0.71
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B800.78
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B7V0.78
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.7
N10O-[(HEXYLAMINO)CARBONYL]-L-SERINEA,B,C,D,E,F,
G,H		2Q0S0.71
DSEN-METHYL-D-SERINEC1CWH0.75
PAUPANTOTHENOIC ACIDA,B2F9W0.71
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.71
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.71
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.71
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.7
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.77
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE		A1QDQ0.71
HY33-HYDROXYPROLINEA,B,G2G660.73
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
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
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.7
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.7
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID		A2HCG0.78
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.71
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE		A2DC70.7
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.7
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.71
C6LN-hexanoyl-L-homoserineA3DHA0.75
C6LN-hexanoyl-L-homoserineA3DHB0.75
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.9
THCN-METHYLCARBONYLTHREONINEB2HR00.9
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.9
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.9
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID		C,D1OKX0.77
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID		A1DRT0.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.78
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.78
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.78
ALOALLO-THREONINEI,P1HDT0.71
ALOALLO-THREONINEA2JUU0.71
ALOALLO-THREONINEA2VMX0.71