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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03645566

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.77
X7O5-AMINO-3-METHYL-PYRROLIDINE-2-
CARBOXYLIC ACID
A1L2Q0.72
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.72
THCN-METHYLCARBONYLTHREONINEB2HR00.72
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.72
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.72
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.84
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.71
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.7
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.74
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.71
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE
C1CWK0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.71
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.79
NC66-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACIDA1ZD40.71
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.72
MUDN-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-
L-glutamic acid
A3D7G0.73
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.73
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.7
MHLN-METHYL-4-HYDROXY-LEUCINEC1CWL0.72
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE
A2GGB0.72
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.7
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.71
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.74
IMLN-METHYL-ISOLEUCINEC1CWM0.74
CCLN~6~-[(CYCLOPENTYLOXY)CARBONYL]-
D-LYSINE
A2Q7G0.72
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER
A,B1ME60.72
HLUBETA-HYDROXYLEUCINEA1ROV0.71
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
A3EMY0.7
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
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.77
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
SVCN-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE
A,B3BPM0.74
NC3N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINEP1ZD20.7
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,B1XE60.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.72
AN0N-ACETYL-L-NORVALINEA1ZQ80.72
MLEN-METHYLLEUCINEA,D2J9A0.76
MLEN-METHYLLEUCINEC1IKF0.76
MLEN-METHYLLEUCINEA,M,N2Z6W0.76
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.76
MLEN-METHYLLEUCINED,E,F1XQ70.76
MLEN-METHYLLEUCINEC1CWA0.76
MLEN-METHYLLEUCINEC1CWF0.76
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.76
MLEN-METHYLLEUCINEB3CYS0.76
MLEN-METHYLLEUCINEC1CWH0.76
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.76
MLEN-METHYLLEUCINEC1CYN0.76
MLEN-METHYLLEUCINEA1LV90.76
MLEN-METHYLLEUCINEC,D2OJU0.76
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.76
MLEN-METHYLLEUCINEA1IKM0.76
MLEN-METHYLLEUCINEC1CWK0.76
MLEN-METHYLLEUCINEA,B2HG80.76
MLEN-METHYLLEUCINEC1CWB0.76
MLEN-METHYLLEUCINEC1CWJ0.76
MLEN-METHYLLEUCINEA1CYB0.76
MLEN-METHYLLEUCINED1QNG0.76
MLEN-METHYLLEUCINEB1MIK0.76
MLEN-METHYLLEUCINEA1CSA0.76
MLEN-METHYLLEUCINEC1CWL0.76
MLEN-METHYLLEUCINEA1CYA0.76
MLEN-METHYLLEUCINEA,B,D1MF80.76
MLEN-METHYLLEUCINEC1BCK0.76
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.76
MLEN-METHYLLEUCINEC1CWC0.76
MLEN-METHYLLEUCINEC1CWI0.76
MLEN-METHYLLEUCINEC,D1QNH0.76
MLEN-METHYLLEUCINEB,D,F,H2RMC0.76
MLEN-METHYLLEUCINEC1CWM0.76
MLEN-METHYLLEUCINET,U,V2POY0.76
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.76
MLEN-METHYLLEUCINEC1CWO0.76
MLEN-METHYLLEUCINEA1IKL0.76
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID
A2HCG0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1AEC0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B2PRE0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1CV80.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A3C9E0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B3BCN0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1ATK0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D3BPF0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1TLO0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1QX60.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1MEG0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D2BDZ0.75
C6LN-hexanoyl-L-homoserineA3DHA0.73
C6LN-hexanoyl-L-homoserineA3DHB0.73
CIRCITRULLINEA,B,C,D1J210.72
CIRCITRULLINEB1KOD0.72
CIRCITRULLINEA,B,C3B3I0.72
CIRCITRULLINEC3DTX0.72
CIRCITRULLINEA2C6Z0.72
CIRCITRULLINEA,C,E,F2W650.72
CIRCITRULLINEA,B2JAI0.72
CIRCITRULLINEP3FT20.72
CIRCITRULLINEA,B,C,D1J1Z0.72
CIRCITRULLINEA,B1LXY0.72
CIRCITRULLINEF,H1OL10.72
CIRCITRULLINEA1KP30.72
CIRCITRULLINEA2NZ20.72
CIRCITRULLINEA1H700.72
CIRCITRULLINEA1K970.72
CIRCITRULLINEC3B6S0.72
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.79
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.79
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,B1XE50.7