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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03821371

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER
A,B1ME60.71
0AZ(4R)-4-hydroxy-L-prolineA1GQ00.73
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide
A,B3H1P0.71
C6LN-hexanoyl-L-homoserineA3DHA0.76
C6LN-hexanoyl-L-homoserineA3DHB0.76
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1AEC0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B2PRE0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1CV80.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A3C9E0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B3BCN0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1ATK0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D3BPF0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1TLO0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1QX60.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1MEG0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D2BDZ0.71
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,B1XE60.73
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID
A1DRT0.71
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.73
EP2methyl N-[(2S)-4-{[(1S)-1-{[(2S)-
2-carboxypyrrolidin-1-yl]carbonyl}-
3-methylbutyl]amino}-2-hydroxy-
4-oxobutanoyl]-L-leucylglycylglycinate
B1SP40.74
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.79
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.79
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.79
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.72
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.72
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.72
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.7
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE
A2GGB0.72
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
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.75
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,B1XE50.74
CCLN~6~-[(CYCLOPENTYLOXY)CARBONYL]-
D-LYSINE
A2Q7G0.7
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.72
74MMETHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
A2DC90.73
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.74
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
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
A3EMY0.7
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
A2H6T0.7
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,B1LS50.7
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,B1SME0.7
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,C1W6I0.7
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,B1XDH0.7
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,B2QZX0.7
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
A1IZE0.7
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,B1M430.7
HYP4-HYDROXYPROLINEA1OB40.73
HYP4-HYDROXYPROLINEA,B,C1QSU0.73
HYP4-HYDROXYPROLINEA,C,E,G,I,K,
M,O
1GK80.73
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.73
HYP4-HYDROXYPROLINEE,F,G,H,I,J2F6A0.73
HYP4-HYDROXYPROLINEA1TCH0.73
HYP4-HYDROXYPROLINEA1KCP0.73
HYP4-HYDROXYPROLINEA2JTU0.73
HYP4-HYDROXYPROLINEA,B,C,I,J,L,M1K830.73
HYP4-HYDROXYPROLINEA3E2Q0.73
HYP4-HYDROXYPROLINEA1TR60.73
HYP4-HYDROXYPROLINEA1P1P0.73
HYP4-HYDROXYPROLINEB,C,E,F,H,I,
K,L,M,N,O,P,
Q,R,S,T
2HOD0.73
HYP4-HYDROXYPROLINEA,B,C,D2V530.73
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.73
HYP4-HYDROXYPROLINEA2VUV0.73
HYP4-HYDROXYPROLINEA1EYO0.73
HYP4-HYDROXYPROLINED,H2FES0.73
HYP4-HYDROXYPROLINEA,B,E,F3EJH0.73
HYP4-HYDROXYPROLINEA2JQB0.73
HYP4-HYDROXYPROLINEA2P4L0.73
HYP4-HYDROXYPROLINEA2H9X0.73
HYP4-HYDROXYPROLINEA1AV30.73
HYP4-HYDROXYPROLINEA1TCJ0.73
HYP4-HYDROXYPROLINEA2IHA0.73
HYP4-HYDROXYPROLINEA,B,C1BKV0.73
HYP4-HYDROXYPROLINEA1R9U0.73
HYP4-HYDROXYPROLINEA1AG70.73
HYP4-HYDROXYPROLINEA1GQ00.73
HYP4-HYDROXYPROLINEA1R9I0.73
HYP4-HYDROXYPROLINEH1LM80.73
HYP4-HYDROXYPROLINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.73
HYP4-HYDROXYPROLINEA,B,C,D,E,F1EI80.73
HYP4-HYDROXYPROLINEA,B,C1Q7D0.73
HYP4-HYDROXYPROLINEA1VIB0.73
HYP4-HYDROXYPROLINED,H2FEQ0.73
HYP4-HYDROXYPROLINEA1DG00.73
HYP4-HYDROXYPROLINEB,C,D,F1DZI0.73
HYP4-HYDROXYPROLINEA1GIB0.73
HYP4-HYDROXYPROLINEA,D1LQB0.73
HYP4-HYDROXYPROLINEA,B,C3DMW0.73
HYP4-HYDROXYPROLINEA2JQC0.73
HYP4-HYDROXYPROLINEA,B,C,D,E,F1X1K0.73
HYP4-HYDROXYPROLINEA1IEO0.73
HYP4-HYDROXYPROLINED,H1NZQ0.73
HYP4-HYDROXYPROLINEA2JRY0.73
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.73
HYP4-HYDROXYPROLINEA,B1JOH0.73
HYP4-HYDROXYPROLINEA1PQR0.73
HYP4-HYDROXYPROLINEA1TTL0.73
HYP4-HYDROXYPROLINEA2B5Q0.73
HYP4-HYDROXYPROLINEA,B,C1CAG0.73
HYP4-HYDROXYPROLINEA2EW40.73
HYP4-HYDROXYPROLINEB,C,E,F,G,H2HLO0.73
HYP4-HYDROXYPROLINEA2YYF0.73
HYP4-HYDROXYPROLINEA1G1P0.73
HYP4-HYDROXYPROLINEA,B,D,E,H,K,
O,R,V
1UWA0.73
HYP4-HYDROXYPROLINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.73
HYP4-HYDROXYPROLINEA2VUZ0.73
HYP4-HYDROXYPROLINEA1QFB0.73
HYP4-HYDROXYPROLINED,H1O0D0.73
HYP4-HYDROXYPROLINEA,B,C,D,E,F2D3F0.73
HYP4-HYDROXYPROLINEA2J150.73
HYP4-HYDROXYPROLINEA1DFZ0.73
HYP4-HYDROXYPROLINEA,B1OB60.73
HYP4-HYDROXYPROLINEA,B,C,I,J,L,M3CQZ0.73
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
1IR20.73
HYP4-HYDROXYPROLINEA1TCK0.73
HYP4-HYDROXYPROLINEA1G1Z0.73
HYP4-HYDROXYPROLINEA,B,D,E,F,G1YM80.73
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.73
HYP4-HYDROXYPROLINEA1MTQ0.73
HYP4-HYDROXYPROLINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.73
HYP4-HYDROXYPROLINEA,B,C1V7H0.73
HYP4-HYDROXYPROLINEA,B,G2G660.73
HYP4-HYDROXYPROLINEA1OB70.73
HYP4-HYDROXYPROLINEA1OMC0.73
HYP4-HYDROXYPROLINEX2HCZ0.73
HYP4-HYDROXYPROLINEA1DFY0.73
HYP4-HYDROXYPROLINEA,B,C,D,E,F2D3H0.73
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.73
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.73
HYP4-HYDROXYPROLINEA1IH90.73
HYP4-HYDROXYPROLINEA2IH60.73
HYP4-HYDROXYPROLINEA2IH70.73
HYP4-HYDROXYPROLINEA1JLP0.73
HYP4-HYDROXYPROLINEA,C,E,F2W650.73
HYP4-HYDROXYPROLINEA1AS50.73
HYP4-HYDROXYPROLINEA,B,C1V6Q0.73
HYP4-HYDROXYPROLINEA,B,C1V4F0.73
HYP4-HYDROXYPROLINEA,B,C1Y0F0.73
HYP4-HYDROXYPROLINEA,B,C2DRX0.73
HYP4-HYDROXYPROLINEA1K640.73
HYP4-HYDROXYPROLINEA,B,C1YGV0.73
HYP4-HYDROXYPROLINEA2B5P0.73
HYP4-HYDROXYPROLINEA,B,C2DRT0.73
HYP4-HYDROXYPROLINEA2CCO0.73
HYP4-HYDROXYPROLINEA1WCT0.73
HYP4-HYDROXYPROLINEA1D7T0.73
HYP4-HYDROXYPROLINEA1JLO0.73
HYP4-HYDROXYPROLINEA,B,C1CGD0.73
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.73
HYP4-HYDROXYPROLINEH,P2A2X0.73
HYP4-HYDROXYPROLINEA1DLZ0.73
HYP4-HYDROXYPROLINEA,B,C,I,J,L,
M,T
2VUM0.73
HYP4-HYDROXYPROLINEA1TCG0.73
HYP4-HYDROXYPROLINEH,P2ANK0.73
HYP4-HYDROXYPROLINEA,B,C1WZB0.73
HYP4-HYDROXYPROLINEA1BDK0.73
SJ1N-(ISOBUTOXYCARBONYL)-D-SERYL-N-
((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-FORMYLBUTYL)-L-ALANINAMIDE
U1W100.72
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.8
HY33-HYDROXYPROLINEA,B,G2G660.7