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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02416229

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
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,B1XE50.82
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A2BJS0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1QJE0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BK00.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BLZ0.7
2NCN-{(2S)-2-[(N-acetyl-L-threonyl-
L-isoleucyl)amino]hexyl}-L-norleucyl-
L-glutaminyl-L-argininamide		A,B3BVA0.74
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.76
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		A3EMY0.79
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		A2H6T0.79
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,B1LS50.79
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,B1SME0.79
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,C1W6I0.79
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,B1XDH0.79
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,B2QZX0.79
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		A1IZE0.79
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,B1M430.79
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.72
THCN-METHYLCARBONYLTHREONINEB2HR00.72
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.72
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.72
H5MTRANS-3-HYDROXY-5-METHYLPROLINEA,B1A7Z0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.8
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.8
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.8
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE		A2DCB0.73
0AZ(4R)-4-hydroxy-L-prolineA1GQ00.7
SJ1N-(ISOBUTOXYCARBONYL)-D-SERYL-N-
((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-FORMYLBUTYL)-L-ALANINAMIDE		U1W100.76
2G0(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-
3,4,5-trihydroxy-6-methyltetrahydro-
2H-pyran-2-yl]acetyl}amino)hexanoyl]-
N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-
2-carboxamide		A,B,C,D3DCQ0.71
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
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID		A2EEP0.72
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID		A2Z3Z0.72
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE		A2DC70.73
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE		A2DCA0.73
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.7
HY33-HYDROXYPROLINEA,B,G2G660.74
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID		A1DRT0.75
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,B1XE60.83
SVCN-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE		A,B3BPM0.72
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.79
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide		A,B3H1P0.72
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,C3DV10.73
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID		A2HCG0.74
HYP4-HYDROXYPROLINEA1OB40.7
HYP4-HYDROXYPROLINEA,B,C1QSU0.7
HYP4-HYDROXYPROLINEA,C,E,G,I,K,
M,O		1GK80.7
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V6A0.7
HYP4-HYDROXYPROLINEE,F,G,H,I,J2F6A0.7
HYP4-HYDROXYPROLINEA1TCH0.7
HYP4-HYDROXYPROLINEA1KCP0.7
HYP4-HYDROXYPROLINEA2JTU0.7
HYP4-HYDROXYPROLINEA,B,C,I,J,L,M1K830.7
HYP4-HYDROXYPROLINEA3E2Q0.7
HYP4-HYDROXYPROLINEA1TR60.7
HYP4-HYDROXYPROLINEA1P1P0.7
HYP4-HYDROXYPROLINEB,C,E,F,H,I,
K,L,M,N,O,P,
Q,R,S,T		2HOD0.7
HYP4-HYDROXYPROLINEA,B,C,D2V530.7
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V680.7
HYP4-HYDROXYPROLINEA2VUV0.7
HYP4-HYDROXYPROLINEA1EYO0.7
HYP4-HYDROXYPROLINED,H2FES0.7
HYP4-HYDROXYPROLINEA,B,E,F3EJH0.7
HYP4-HYDROXYPROLINEA2JQB0.7
HYP4-HYDROXYPROLINEA2P4L0.7
HYP4-HYDROXYPROLINEA2H9X0.7
HYP4-HYDROXYPROLINEA1AV30.7
HYP4-HYDROXYPROLINEA1TCJ0.7
HYP4-HYDROXYPROLINEA2IHA0.7
HYP4-HYDROXYPROLINEA,B,C1BKV0.7
HYP4-HYDROXYPROLINEA1R9U0.7
HYP4-HYDROXYPROLINEA1AG70.7
HYP4-HYDROXYPROLINEA1GQ00.7
HYP4-HYDROXYPROLINEA1R9I0.7
HYP4-HYDROXYPROLINEH1LM80.7
HYP4-HYDROXYPROLINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W		1UZH0.7
HYP4-HYDROXYPROLINEA,B,C,D,E,F1EI80.7
HYP4-HYDROXYPROLINEA,B,C1Q7D0.7
HYP4-HYDROXYPROLINEA1VIB0.7
HYP4-HYDROXYPROLINED,H2FEQ0.7
HYP4-HYDROXYPROLINEA1DG00.7
HYP4-HYDROXYPROLINEB,C,D,F1DZI0.7
HYP4-HYDROXYPROLINEA1GIB0.7
HYP4-HYDROXYPROLINEA,D1LQB0.7
HYP4-HYDROXYPROLINEA,B,C3DMW0.7
HYP4-HYDROXYPROLINEA2JQC0.7
HYP4-HYDROXYPROLINEA,B,C,D,E,F1X1K0.7
HYP4-HYDROXYPROLINEA1IEO0.7
HYP4-HYDROXYPROLINED,H1NZQ0.7
HYP4-HYDROXYPROLINEA2JRY0.7
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V670.7
HYP4-HYDROXYPROLINEA,B1JOH0.7
HYP4-HYDROXYPROLINEA1PQR0.7
HYP4-HYDROXYPROLINEA1TTL0.7
HYP4-HYDROXYPROLINEA2B5Q0.7
HYP4-HYDROXYPROLINEA,B,C1CAG0.7
HYP4-HYDROXYPROLINEA2EW40.7
HYP4-HYDROXYPROLINEB,C,E,F,G,H2HLO0.7
HYP4-HYDROXYPROLINEA2YYF0.7
HYP4-HYDROXYPROLINEA1G1P0.7
HYP4-HYDROXYPROLINEA,B,D,E,H,K,
O,R,V		1UWA0.7
HYP4-HYDROXYPROLINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W		1UW90.7
HYP4-HYDROXYPROLINEA2VUZ0.7
HYP4-HYDROXYPROLINEA1QFB0.7
HYP4-HYDROXYPROLINED,H1O0D0.7
HYP4-HYDROXYPROLINEA,B,C,D,E,F2D3F0.7
HYP4-HYDROXYPROLINEA2J150.7
HYP4-HYDROXYPROLINEA1DFZ0.7
HYP4-HYDROXYPROLINEA,B1OB60.7
HYP4-HYDROXYPROLINEA,B,C,I,J,L,M3CQZ0.7
HYP4-HYDROXYPROLINE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z		1IR20.7
HYP4-HYDROXYPROLINEA1TCK0.7
HYP4-HYDROXYPROLINEA1G1Z0.7
HYP4-HYDROXYPROLINEA,B,D,E,F,G1YM80.7
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDI0.7
HYP4-HYDROXYPROLINEA1MTQ0.7
HYP4-HYDROXYPROLINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W		1UZD0.7
HYP4-HYDROXYPROLINEA,B,C1V7H0.7
HYP4-HYDROXYPROLINEA,B,G2G660.7
HYP4-HYDROXYPROLINEA1OB70.7
HYP4-HYDROXYPROLINEA1OMC0.7
HYP4-HYDROXYPROLINEX2HCZ0.7
HYP4-HYDROXYPROLINEA1DFY0.7
HYP4-HYDROXYPROLINEA,B,C,D,E,F2D3H0.7
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDH0.7
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V630.7
HYP4-HYDROXYPROLINEA1IH90.7
HYP4-HYDROXYPROLINEA2IH60.7
HYP4-HYDROXYPROLINEA2IH70.7
HYP4-HYDROXYPROLINEA1JLP0.7
HYP4-HYDROXYPROLINEA,C,E,F2W650.7
HYP4-HYDROXYPROLINEA1AS50.7
HYP4-HYDROXYPROLINEA,B,C1V6Q0.7
HYP4-HYDROXYPROLINEA,B,C1V4F0.7
HYP4-HYDROXYPROLINEA,B,C1Y0F0.7
HYP4-HYDROXYPROLINEA,B,C2DRX0.7
HYP4-HYDROXYPROLINEA1K640.7
HYP4-HYDROXYPROLINEA,B,C1YGV0.7
HYP4-HYDROXYPROLINEA2B5P0.7
HYP4-HYDROXYPROLINEA,B,C2DRT0.7
HYP4-HYDROXYPROLINEA2CCO0.7
HYP4-HYDROXYPROLINEA1WCT0.7
HYP4-HYDROXYPROLINEA1D7T0.7
HYP4-HYDROXYPROLINEA1JLO0.7
HYP4-HYDROXYPROLINEA,B,C1CGD0.7
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V690.7
HYP4-HYDROXYPROLINEH,P2A2X0.7
HYP4-HYDROXYPROLINEA1DLZ0.7
HYP4-HYDROXYPROLINEA,B,C,I,J,L,
M,T		2VUM0.7
HYP4-HYDROXYPROLINEA1TCG0.7
HYP4-HYDROXYPROLINEH,P2ANK0.7
HYP4-HYDROXYPROLINEA,B,C1WZB0.7
HYP4-HYDROXYPROLINEA1BDK0.7
BB2ACTINONINA,B,C,D3G5K0.72
BB2ACTINONINA,B,C1LRU0.72
BB2ACTINONINA,B2OKL0.72
BB2ACTINONINA2OS10.72
BB2ACTINONINA,B,C1G2A0.72
BB2ACTINONINA1Q1Y0.72
BB2ACTINONINA,B,C,D,E,F,
G,H		1SZZ0.72
BB2ACTINONINA1LQY0.72
BB2ACTINONINA2OS30.72
BB2ACTINONINA1LRY0.72
BB2ACTINONINA,B1IX10.72
BB2ACTINONINA1WS10.72
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE		A1QDQ0.88
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
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide		2,H,K,N,V,Y3D290.77
EP2methyl N-[(2S)-4-{[(1S)-1-{[(2S)-
2-carboxypyrrolidin-1-yl]carbonyl}-
3-methylbutyl]amino}-2-hydroxy-
4-oxobutanoyl]-L-leucylglycylglycinate		B1SP40.83
EOVA,B3EOV0.73
FCIFERRICROCIN-IRONA1FCP0.72
FCIFERRICROCIN-IRONA,B2GRX0.72
FCIFERRICROCIN-IRONA1QFF0.72
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B3HY70.71
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B2JIH0.71
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A1R550.71
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID		C,D1OKX0.77
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.79
GCRGALLICHROMEN1EFD0.72
C6LN-hexanoyl-L-homoserineA3DHA0.73
C6LN-hexanoyl-L-homoserineA3DHB0.73
LASN-acetyl-S-({(2R,3S,4R)-3-hydroxy-
2-[(1S)-1-hydroxy-2-methylpropyl]-
4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine		A,B3DPM0.7
74MMETHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE		A2DC90.78