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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00484497

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID		A2EEP0.75
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID		A2Z3Z0.75
BG1O-[(2S)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-
L-serine		A2RG30.71
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.76
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.72
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.76
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B3HY70.74
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B2JIH0.74
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A1R550.74
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide		A,B3H1P0.71
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.77
THCN-METHYLCARBONYLTHREONINEB2HR00.77
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.77
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.77
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B800.84
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B7V0.84
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.71
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE		C1CWK0.73
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		A3EMY0.76
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		A2H6T0.76
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,B1LS50.76
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,B1SME0.76
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,C1W6I0.76
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,B1XDH0.76
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,B2QZX0.76
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		A1IZE0.76
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,B1M430.76
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE		A1W030.7
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE		A1W040.7
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
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A2BJS0.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1QJE0.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BK00.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BLZ0.75
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.77
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.78
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.78
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.78
SACN-ACETYL-SERINEA1R4U0.78
SACN-ACETYL-SERINEA,B,C,D1WS30.78
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H		1XY30.78
SACN-ACETYL-SERINEA,B1EVU0.78
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H		1R560.78
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.78
SACN-ACETYL-SERINEA1WRR0.78
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.78
SACN-ACETYL-SERINEA,B3CVQ0.78
SACN-ACETYL-SERINEA1B0B0.78
SACN-ACETYL-SERINEA1XT40.78
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.78
SACN-ACETYL-SERINEA2FXL0.78
SACN-ACETYL-SERINEA1R4S0.78
SACN-ACETYL-SERINEA,B,C,D1WS20.78
SACN-ACETYL-SERINEA,B,C,D2AUC0.78
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.78
SACN-ACETYL-SERINEA1R510.78
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.78
SACN-ACETYL-SERINEA,B,C,D1XXJ0.78
SACN-ACETYL-SERINET2QAC0.78
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.78
IMLN-METHYL-ISOLEUCINEC1CWM0.71
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.73
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,B1XE50.79
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.76
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.77
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE		B2IVI0.71
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,C3DV10.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1AEC0.77
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B2PRE0.77
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1CV80.77
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A3C9E0.77
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B3BCN0.77
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1ATK0.77
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D3BPF0.77
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1TLO0.77
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1QX60.77
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1MEG0.77
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D2BDZ0.77
LLYNZ-(DICARBOXYMETHYL)LYSINEA,B1UCW0.73
PYHN~6~-{[(2R,3R)-3-METHYL-3,4-DIHYDRO-
2H-PYRROL-2-YL]CARBONYL}-L-LYSINE		A2ZCE0.71
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE		A1QDQ0.79
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE		A2DCB0.76
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID		A1DRT0.73
N10O-[(HEXYLAMINO)CARBONYL]-L-SERINEA,B,C,D,E,F,
G,H		2Q0S0.75
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE		A2DC80.72
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE		A2DC70.75
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
C6LN-hexanoyl-L-homoserineA3DHA0.78
C6LN-hexanoyl-L-homoserineA3DHB0.78
SJ1N-(ISOBUTOXYCARBONYL)-D-SERYL-N-
((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-FORMYLBUTYL)-L-ALANINAMIDE		U1W100.74
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER		A2TCL0.76
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
ALYN(6)-ACETYLLYSINEA,B2B4D0.72
ALYN(6)-ACETYLLYSINEA,B2OD90.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.72
ALYN(6)-ACETYLLYSINEA,B2B5G0.72
ALYN(6)-ACETYLLYSINEA2GIV0.72
ALYN(6)-ACETYLLYSINEB2RNY0.72
ALYN(6)-ACETYLLYSINEA1JSP0.72
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.72
ALYN(6)-ACETYLLYSINEA,D3D4B0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.72
ALYN(6)-ACETYLLYSINEA,B2R0Y0.72
ALYN(6)-ACETYLLYSINEA3CZ70.72
ALYN(6)-ACETYLLYSINEA1JM40.72
ALYN(6)-ACETYLLYSINEA,B2H4H0.72
ALYN(6)-ACETYLLYSINEA,B2J6V0.72
ALYN(6)-ACETYLLYSINEA,B2R100.72
ALYN(6)-ACETYLLYSINEA,B1YC50.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.72
ALYN(6)-ACETYLLYSINEA,B2H2G0.72
ALYN(6)-ACETYLLYSINEA,D2H4F0.72
ALYN(6)-ACETYLLYSINEA2OU20.72
ALYN(6)-ACETYLLYSINEA,B1S5P0.72
ALYN(6)-ACETYLLYSINEB2RNW0.72
ALYN(6)-ACETYLLYSINEA3D350.72
ALYN(6)-ACETYLLYSINEA,B2OD20.72
ALYN(6)-ACETYLLYSINEA2ZFN0.72
ALYN(6)-ACETYLLYSINEC,D2C1J0.72
ALYN(6)-ACETYLLYSINEA,B2QQG0.72
ALYN(6)-ACETYLLYSINEB2RNX0.72
ALYN(6)-ACETYLLYSINEA,B1MA30.72
ALYN(6)-ACETYLLYSINEA,B2H2H0.72
ALYN(6)-ACETYLLYSINEA2I2Z0.72
ALYN(6)-ACETYLLYSINEA,B2OD70.72
ALYN(6)-ACETYLLYSINEP1E6I0.72
ALYN(6)-ACETYLLYSINEA,B1SZC0.72
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L		3EWF0.72
ALYN(6)-ACETYLLYSINEA,B2H2D0.72
ALYN(6)-ACETYLLYSINEA,B1Q1A0.72
ALYN(6)-ACETYLLYSINEA,B1SZD0.72
ALYN(6)-ACETYLLYSINEQ,R2E3K0.72
ALYN(6)-ACETYLLYSINEA2OZU0.72
ALYN(6)-ACETYLLYSINEA,B2QQF0.72
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.72
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE		H,I,J,K,L,M,N1J2Q0.72
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
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.71
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID		C,D1OKX0.78
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.75
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.76
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE		A2DCA0.78
NSKN-SUCCINYL LYSINEA2P8B0.71
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.73
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE		A2IVJ0.72
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W050.71
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W060.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.72
AN0N-ACETYL-L-NORVALINEA1ZQ80.72
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine		A2VBP0.71
2NCN-{(2S)-2-[(N-acetyl-L-threonyl-
L-isoleucyl)amino]hexyl}-L-norleucyl-
L-glutaminyl-L-argininamide		A,B3BVA0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.86
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.86
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.86
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.76
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.72
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.72