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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02891506

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.71
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE		A1QDQ0.77
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.75
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.86
THCN-METHYLCARBONYLTHREONINEB2HR00.86
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.86
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.86
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,B1XE50.8
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B3HY70.73
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B2JIH0.73
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A1R550.73
HLUBETA-HYDROXYLEUCINEA1ROV0.7
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A2BJS0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1QJE0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BK00.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BLZ0.72
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.8
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.72
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE		A2DC70.76
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE		A2DCA0.76
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.71
AN0N-ACETYL-L-NORVALINEA1ZQ80.71
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE		A2DCB0.75
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE		C1CWK0.72
N10O-[(HEXYLAMINO)CARBONYL]-L-SERINEA,B,C,D,E,F,
G,H		2Q0S0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.87
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.87
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.87
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.72
PAUPANTOTHENOIC ACIDA,B2F9W0.76
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.76
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.76
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.76
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.74
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.74
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID		A2HCG0.75
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		A3EMY0.77
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		A2H6T0.77
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,B1LS50.77
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,B1SME0.77
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,C1W6I0.77
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,B1XDH0.77
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,B2QZX0.77
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		A1IZE0.77
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,B1M430.77
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.73
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.72
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.72
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID		A1DRT0.74
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,B1XE60.8
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1AEC0.78
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B2PRE0.78
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1CV80.78
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A3C9E0.78
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B3BCN0.78
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1ATK0.78
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D3BPF0.78
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1TLO0.78
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1QX60.78
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1MEG0.78
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D2BDZ0.78
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B800.87
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B7V0.87
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID		C,D1OKX0.78
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.73
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.76
C6LN-hexanoyl-L-homoserineA3DHA0.74
C6LN-hexanoyl-L-homoserineA3DHB0.74
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.79
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.79
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.79
SACN-ACETYL-SERINEA1R4U0.79
SACN-ACETYL-SERINEA,B,C,D1WS30.79
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H		1XY30.79
SACN-ACETYL-SERINEA,B1EVU0.79
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H		1R560.79
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.79
SACN-ACETYL-SERINEA1WRR0.79
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.79
SACN-ACETYL-SERINEA,B3CVQ0.79
SACN-ACETYL-SERINEA1B0B0.79
SACN-ACETYL-SERINEA1XT40.79
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.79
SACN-ACETYL-SERINEA2FXL0.79
SACN-ACETYL-SERINEA1R4S0.79
SACN-ACETYL-SERINEA,B,C,D1WS20.79
SACN-ACETYL-SERINEA,B,C,D2AUC0.79
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.79
SACN-ACETYL-SERINEA1R510.79
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.79
SACN-ACETYL-SERINEA,B,C,D1XXJ0.79
SACN-ACETYL-SERINET2QAC0.79
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.79
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE		A2DC80.73
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide		2,H,K,N,V,Y3D290.7