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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02476462

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.73
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.73
LOLLEUCINOLC,D2ZHR0.71
LOLLEUCINOLC,D1FKN0.71
LOLLEUCINOLC,D1M4H0.71
CAB4-CARBOXY-4-AMINOBUTANALA,B,M,N1FJM0.71
CAB4-CARBOXY-4-AMINOBUTANALC,I2IE30.71
CAB4-CARBOXY-4-AMINOBUTANALC,F,X,Y2NPP0.71
CAB4-CARBOXY-4-AMINOBUTANALA,B1DJO0.71
LEPN-phosphono-L-leucineE2TMN0.71
HLUBETA-HYDROXYLEUCINEA1ROV0.95
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.77
SYM2S,4R-4-METHYLGLUTAMATEA,B1SD30.78
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.72
DCL2-AMINO-4-METHYL-PENTAN-1-OLA1FFF0.7
DCL2-AMINO-4-METHYL-PENTAN-1-OLA,B1EBK0.7
DCL2-AMINO-4-METHYL-PENTAN-1-OLI1DS30.7
DCL2-AMINO-4-METHYL-PENTAN-1-OLC1K2B0.7
DCL2-AMINO-4-METHYL-PENTAN-1-OLC1K2C0.7
DCL2-AMINO-4-METHYL-PENTAN-1-OLA,B,C2AOE0.7
DCL2-AMINO-4-METHYL-PENTAN-1-OLA1FG80.7
DCL2-AMINO-4-METHYL-PENTAN-1-OLA1DW60.7
DCL2-AMINO-4-METHYL-PENTAN-1-OLC,D2R9B0.7
DCL2-AMINO-4-METHYL-PENTAN-1-OLB,C1K1T0.7
DCL2-AMINO-4-METHYL-PENTAN-1-OLA,B1DAZ0.7
DCL2-AMINO-4-METHYL-PENTAN-1-OLC1K1U0.7
ILX4,5-DIHYDROXYISOLEUCINEA,B,C,I,J,L,M3CQZ0.77
ILX4,5-DIHYDROXYISOLEUCINEA,B,C,I,J,L,M1K830.77
ILX4,5-DIHYDROXYISOLEUCINEA,B,C,I,J,L,
M,T
2VUM0.77
LYZ5-HYDROXYLYSINEA,B,C,D1QGW0.7
LYZ5-HYDROXYLYSINEA,B,C,D1XG00.7
LYZ5-HYDROXYLYSINEA,B,C,D1XF60.7
LYZ5-HYDROXYLYSINEA,B,C1YGV0.7
LYZ5-HYDROXYLYSINEA,B,C1Y0F0.7
MLEN-METHYLLEUCINEA,D2J9A0.72
MLEN-METHYLLEUCINEC1IKF0.72
MLEN-METHYLLEUCINEA,M,N2Z6W0.72
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.72
MLEN-METHYLLEUCINED,E,F1XQ70.72
MLEN-METHYLLEUCINEC1CWA0.72
MLEN-METHYLLEUCINEC1CWF0.72
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.72
MLEN-METHYLLEUCINEB3CYS0.72
MLEN-METHYLLEUCINEC1CWH0.72
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.72
MLEN-METHYLLEUCINEC1CYN0.72
MLEN-METHYLLEUCINEA1LV90.72
MLEN-METHYLLEUCINEC,D2OJU0.72
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.72
MLEN-METHYLLEUCINEA1IKM0.72
MLEN-METHYLLEUCINEC1CWK0.72
MLEN-METHYLLEUCINEA,B2HG80.72
MLEN-METHYLLEUCINEC1CWB0.72
MLEN-METHYLLEUCINEC1CWJ0.72
MLEN-METHYLLEUCINEA1CYB0.72
MLEN-METHYLLEUCINED1QNG0.72
MLEN-METHYLLEUCINEB1MIK0.72
MLEN-METHYLLEUCINEA1CSA0.72
MLEN-METHYLLEUCINEC1CWL0.72
MLEN-METHYLLEUCINEA1CYA0.72
MLEN-METHYLLEUCINEA,B,D1MF80.72
MLEN-METHYLLEUCINEC1BCK0.72
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.72
MLEN-METHYLLEUCINEC1CWC0.72
MLEN-METHYLLEUCINEC1CWI0.72
MLEN-METHYLLEUCINEC,D1QNH0.72
MLEN-METHYLLEUCINEB,D,F,H2RMC0.72
MLEN-METHYLLEUCINEC1CWM0.72
MLEN-METHYLLEUCINET,U,V2POY0.72
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.72
MLEN-METHYLLEUCINEC1CWO0.72
MLEN-METHYLLEUCINEA1IKL0.72
AHBBETA-HYDROXYASPARAGINEA1DSR0.71
AHBBETA-HYDROXYASPARAGINEA,G1NT00.71
AHBBETA-HYDROXYASPARAGINEA2ZGD0.71
AHBBETA-HYDROXYASPARAGINEA,B2QC90.71
AHBBETA-HYDROXYASPARAGINEA2OG70.71
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE
C1CWK0.72
DTHD-THREONINEA1KRO0.8
DTHD-THREONINEA,B,C,D3BOG0.8
DTHD-THREONINEA,B173D0.8
DTHD-THREONINEA209D0.8
DTHD-THREONINEA316D0.8
DTHD-THREONINEA,B2Q330.8
DTHD-THREONINEA2JUE0.8
DTHD-THREONINEA2D550.8
GAU(4S)-4-AMINO-5-HYDROXYPENTANOIC ACIDA,B,C,D2CV10.79
GAU(4S)-4-AMINO-5-HYDROXYPENTANOIC ACIDA,B,C,D2DXI0.79
DFI2,2-DIFLUOROSTATINEE,I1APW0.82
FGA5-oxo-D-norvalineC,F,G,H3DW80.71
FGA5-oxo-D-norvalineA,B,C,D,E,F,
G,H
2NYL0.71
FGA5-oxo-D-norvalineC,F,M,N2IAE0.71
FGA5-oxo-D-norvalineA,B,C,D,E,F,
G,H
2NYM0.71
DILD-ISOLEUCINEA,B2Q330.77
DILD-ISOLEUCINEA1CWZ0.77
DILD-ISOLEUCINEA1CVQ0.77
DILD-ISOLEUCINEA1C4B0.77
DILD-ISOLEUCINEA1CW80.77
DILD-ISOLEUCINEA2AP80.77
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1Q8H0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WV70.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2EC90.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,H,L,U2C4F0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2DPQ0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDL1PFX0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1Z6J0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1AG70.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDC,H,L,T2FIR0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1ONU0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2ZZU0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1W2K0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WTG0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1TGG0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,I,L,T2B8O0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1NL10.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WQV0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2PF20.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1WHE0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WUN0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L,T2AER0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1ONT0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1WCT0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,G1IOD0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1W0Y0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1AWY0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDC,H,L1DAN0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1VZM0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2AEI0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDG,L1NL00.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1AD70.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2ZP00.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1Q3M0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1J350.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1P0S0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1WHF0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L2ZWL0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1CFI0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2O6N0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1MTQ0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L,T2A2Q0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C1J340.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDH,L1WSS0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B,C,D1LQV0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1MGX0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA,B2DPR0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA2SPT0.8
CGUGAMMA-CARBOXY-GLUTAMIC ACIDA1NL20.8
IILISO-ISOLEUCINEA,B,C,D1Q4V0.77
IILISO-ISOLEUCINEA1KMF0.77
IILISO-ISOLEUCINEA,B,C1TGG0.77
IILISO-ISOLEUCINEA1RH40.77
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5N0.75
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5M0.75
OLTO-METHYL-L-THREONINEA,B,C2AOC0.75
OLTO-METHYL-L-THREONINEA,B,C2AOD0.75
NVANORVALINEB,C1CA80.73
NVANORVALINEB,C,D1BA80.73
NVANORVALINEA1C9Y0.73
NVANORVALINEA,D2BTE0.73
NVANORVALINEA1OBH0.73
NVANORVALINEE,S1Z3P0.73
NVANORVALINEA1ZNM0.73
NVANORVALINEA1JDX0.73
NVANORVALINEA1FB50.73
NVANORVALINEA1OBC0.73
NVANORVALINE11YYY0.73
NVANORVALINEA,B1B6H0.73
NVANORVALINEA,B1ZZZ0.73
NVANORVALINEA,B,C2I6U0.73
NVANORVALINEB,C1BB00.73
NVANORVALINEE,S1Z3M0.73
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID
A1FQ80.74
KAH5-AMINO-4-HYDROXYHEXANOIC ACIDA1H7P0.7
BIU5-bromo-L-isoleucineA3EDS0.7
ALOALLO-THREONINEI,P1HDT0.8
ALOALLO-THREONINEA2JUU0.8
ALOALLO-THREONINEA2VMX0.8
DFO2,2-DIFLUORO-3-HYDROSTATINEE,I1APV0.75
MLLMETHYL L-LEUCINATEC,F,M,N2IAE0.74
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.72
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.72
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.72
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.72
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.72
STASTATINEE1EPP0.86
STASTATINEI1XN30.86
STASTATINEA,B,I,J2FIV0.86
STASTATINEA,B,C,D1QS80.86
STASTATINEA,B2RMP0.86
STASTATINEE,I1APU0.86
STASTATINEA,I1GVU0.86
STASTATINEI3ER50.86
STASTATINEI2ER90.86
STASTATINEE,I4ER20.86
STASTATINEA,C,I,J,K2B7F0.86
STASTATINEA,B,C5HVP0.86
STASTATINEA,I1GVV0.86
STASTATINEA,I1WKR0.86
STASTATINEI5APR0.86
STASTATINEI1PSO0.86
STASTATINEI6APR0.86
STASTATINEA1FQ50.86
STASTATINEA,I3FNT0.86
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.86
STASTATINEA,B,C,D,I,J1LYB0.86
STASTATINEB1FIV0.86
STASTATINEI4APR0.86
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.72
TH5O-acetyl-L-threonineA,D,E,F,G,H2VZK0.73
AA42-AMINO-5-HYDROXYPENTANOIC ACIDB1MIK0.75
AA42-AMINO-5-HYDROXYPENTANOIC ACIDE,I1QR30.75
DLED-LEUCINEA,B1ALZ0.8
DLED-LEUCINEA,B1BDW0.8
DLED-LEUCINEA,D1CZQ0.8
DLED-LEUCINEA1BFW0.8
DLED-LEUCINEE,F,G,H1XN20.8
DLED-LEUCINEA,B,C,D1GMK0.8
DLED-LEUCINEA,B1TKQ0.8
DLED-LEUCINEA,B,C,H,K,L2R5D0.8
DLED-LEUCINEA2NPV0.8
DLED-LEUCINEA,B,C,D2R3C0.8
DLED-LEUCINEB,D,E1AFQ0.8
DLED-LEUCINEA,B1MIC0.8
DLED-LEUCINEA,B1NRU0.8
DLED-LEUCINEA,B1JNO0.8
DLED-LEUCINEA,B1GRM0.8
DLED-LEUCINEA,B1NRM0.8
DLED-LEUCINEA,D2Q3I0.8
DLED-LEUCINEA,B1NT50.8
DLED-LEUCINEA2JUE0.8
DLED-LEUCINEA,B,C,D1AV20.8
DLED-LEUCINEA1YY20.8
DLED-LEUCINEA,B1AL40.8
DLED-LEUCINEA,B1NG80.8
DLED-LEUCINEA,B1ALX0.8
DLED-LEUCINEA,B1JO40.8
DLED-LEUCINEA,B,C,H,K,L2R5B0.8
DLED-LEUCINEA,B1MAG0.8
DLED-LEUCINEA,B1NT60.8
DLED-LEUCINEA,B2Q330.8
DLED-LEUCINEA,B1JO30.8
DLED-LEUCINEE,I1BLL0.8
DLED-LEUCINEA,B1KQE0.8
DLED-LEUCINEA,B,C,D1W5U0.8
DLED-LEUCINEA,B,C,D2IZQ0.8
DLED-LEUCINEA1C4B0.8
DLED-LEUCINEA,B,C,D1C4D0.8
LED(4R)-5-OXO-L-LEUCINEA2IUW0.8
2ML2-METHYLLEUCINEA,B,C1I1L0.71
2ML2-METHYLLEUCINEA2RM90.71
2ML2-METHYLLEUCINEA2RMD0.71
LME(3R)-3-METHYL-L-GLUTAMIC ACIDA1XT70.75
DVAD-VALINEA,B,C,D1C4D0.71
DVAD-VALINEA,B,C,D3BOG0.71
DVAD-VALINEA,B,C,D1GMK0.71
DVAD-VALINEA209D0.71
DVAD-VALINEA,B1TKQ0.71
DVAD-VALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.71
DVAD-VALINEA,B1MIC0.71
DVAD-VALINEA,B1NRU0.71
DVAD-VALINEA1DSD0.71
DVAD-VALINEB1L1V0.71
DVAD-VALINEA,B1JNO0.71
DVAD-VALINEA,B1NRM0.71
DVAD-VALINEA,B1NT50.71
DVAD-VALINEA2JUE0.71
DVAD-VALINEA,B,C,D1AV20.71
DVAD-VALINEA,B2FCN0.71
DVAD-VALINEA,B1A7Z0.71
DVAD-VALINEA,B1AL40.71
DVAD-VALINEA,B1NG80.71
DVAD-VALINEA2D550.71
DVAD-VALINEA1DSC0.71
DVAD-VALINEA,B1ALX0.71
DVAD-VALINEA,B1JO40.71
DVAD-VALINEA,B1MAG0.71
DVAD-VALINEA,B1NT60.71
DVAD-VALINEA,B2Q330.71
DVAD-VALINEA,B1JO30.71
DVAD-VALINEC,D1MNV0.71
DVAD-VALINEA,B1KQE0.71
DVAD-VALINEA,B,C,D1W5U0.71
DVAD-VALINEA,B,C,D2IZQ0.71
DVAD-VALINEA,B,C,D,E,F1UNM0.71
DVAD-VALINEA,C,D1S4V0.71
DVAD-VALINEA,B1OVF0.71
DVAD-VALINEA,L1ZEA0.71
DVAD-VALINEA,B1ALZ0.71
DVAD-VALINEA,B,C1A7Y0.71
DVAD-VALINEA,B173D0.71
DVAD-VALINEA,B1BDW0.71
DVAD-VALINEA,B1FJA0.71
DVAD-VALINEA1BFW0.71
DVAD-VALINEA,B,C,D1I3W0.71
DVAD-VALINEA316D0.71
DVAD-VALINEA,B,C1QFI0.71
DVAD-VALINEA,B1GRM0.71
EKE(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACIDA,I2HAL0.77
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.78
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.78
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.78
ILGGLUTAMYL GROUPA1EVC0.71
ILGGLUTAMYL GROUPA1XY50.71
ILGGLUTAMYL GROUPA1EVA0.71
ILGGLUTAMYL GROUPA1LCM0.71
ILGGLUTAMYL GROUPC,D2GSR0.71
ILGGLUTAMYL GROUPA1XY40.71
ILGGLUTAMYL GROUPA,B,C,D,E,F,
G,H
1AQX0.71
ILGGLUTAMYL GROUPA,B,C,D,E,F,
G,H
1AQW0.71
ILGGLUTAMYL GROUPA1EVB0.71
ILGGLUTAMYL GROUPA,B,C,D1I7Q0.71
ILGGLUTAMYL GROUPA,B1GAC0.71
ILGGLUTAMYL GROUPA1EVD0.71
ILGGLUTAMYL GROUPA,B,C,D1AQV0.71
LTA4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTERE,I1APT0.75