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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02495629

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.77
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.77
ACB3-METHYL-ASPARTIC ACIDA1EVD0.77
ACB3-METHYL-ASPARTIC ACIDA1EVB0.77
ACB3-METHYL-ASPARTIC ACIDA1EVA0.77
ACB3-METHYL-ASPARTIC ACIDA1LCM0.77
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.77
ACB3-METHYL-ASPARTIC ACIDA1AY30.77
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.77
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.77
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.77
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.77
ACB3-METHYL-ASPARTIC ACIDA1EVC0.77
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.73
LED(4R)-5-OXO-L-LEUCINEA2IUW0.78
0AZ(4R)-4-hydroxy-L-prolineA1GQ00.73
2ML2-METHYLLEUCINEA,B,C1I1L0.73
2ML2-METHYLLEUCINEA2RM90.73
2ML2-METHYLLEUCINEA2RMD0.73
FGA5-oxo-D-norvalineC,F,G,H3DW80.72
FGA5-oxo-D-norvalineA,B,C,D,E,F,
G,H
2NYL0.72
FGA5-oxo-D-norvalineC,F,M,N2IAE0.72
FGA5-oxo-D-norvalineA,B,C,D,E,F,
G,H
2NYM0.72
DMK3,3-DIMETHYL ASPARTIC ACIDE,F,G,H1NKK0.71
DMK3,3-DIMETHYL ASPARTIC ACIDA,B,C,D,E,F,
G,H
1NJT0.71
DVAD-VALINEA,B,C,D1C4D0.75
DVAD-VALINEA,B,C,D3BOG0.75
DVAD-VALINEA,B,C,D1GMK0.75
DVAD-VALINEA209D0.75
DVAD-VALINEA,B1TKQ0.75
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
1UNJ0.75
DVAD-VALINEA,B1MIC0.75
DVAD-VALINEA,B1NRU0.75
DVAD-VALINEA1DSD0.75
DVAD-VALINEB1L1V0.75
DVAD-VALINEA,B1JNO0.75
DVAD-VALINEA,B1NRM0.75
DVAD-VALINEA,B1NT50.75
DVAD-VALINEA2JUE0.75
DVAD-VALINEA,B,C,D1AV20.75
DVAD-VALINEA,B2FCN0.75
DVAD-VALINEA,B1A7Z0.75
DVAD-VALINEA,B1AL40.75
DVAD-VALINEA,B1NG80.75
DVAD-VALINEA2D550.75
DVAD-VALINEA1DSC0.75
DVAD-VALINEA,B1ALX0.75
DVAD-VALINEA,B1JO40.75
DVAD-VALINEA,B1MAG0.75
DVAD-VALINEA,B1NT60.75
DVAD-VALINEA,B2Q330.75
DVAD-VALINEA,B1JO30.75
DVAD-VALINEC,D1MNV0.75
DVAD-VALINEA,B1KQE0.75
DVAD-VALINEA,B,C,D1W5U0.75
DVAD-VALINEA,B,C,D2IZQ0.75
DVAD-VALINEA,B,C,D,E,F1UNM0.75
DVAD-VALINEA,C,D1S4V0.75
DVAD-VALINEA,B1OVF0.75
DVAD-VALINEA,L1ZEA0.75
DVAD-VALINEA,B1ALZ0.75
DVAD-VALINEA,B,C1A7Y0.75
DVAD-VALINEA,B173D0.75
DVAD-VALINEA,B1BDW0.75
DVAD-VALINEA,B1FJA0.75
DVAD-VALINEA1BFW0.75
DVAD-VALINEA,B,C,D1I3W0.75
DVAD-VALINEA316D0.75
DVAD-VALINEA,B,C1QFI0.75
DVAD-VALINEA,B1GRM0.75
ALOALLO-THREONINEI,P1HDT0.75
ALOALLO-THREONINEA2JUU0.75
ALOALLO-THREONINEA2VMX0.75
LME(3R)-3-METHYL-L-GLUTAMIC ACIDA1XT70.76
HLUBETA-HYDROXYLEUCINEA1ROV0.86
MLEN-METHYLLEUCINEA,D2J9A0.73
MLEN-METHYLLEUCINEC1IKF0.73
MLEN-METHYLLEUCINEA,M,N2Z6W0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.73
MLEN-METHYLLEUCINED,E,F1XQ70.73
MLEN-METHYLLEUCINEC1CWA0.73
MLEN-METHYLLEUCINEC1CWF0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.73
MLEN-METHYLLEUCINEB3CYS0.73
MLEN-METHYLLEUCINEC1CWH0.73
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.73
MLEN-METHYLLEUCINEC1CYN0.73
MLEN-METHYLLEUCINEA1LV90.73
MLEN-METHYLLEUCINEC,D2OJU0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.73
MLEN-METHYLLEUCINEA1IKM0.73
MLEN-METHYLLEUCINEC1CWK0.73
MLEN-METHYLLEUCINEA,B2HG80.73
MLEN-METHYLLEUCINEC1CWB0.73
MLEN-METHYLLEUCINEC1CWJ0.73
MLEN-METHYLLEUCINEA1CYB0.73
MLEN-METHYLLEUCINED1QNG0.73
MLEN-METHYLLEUCINEB1MIK0.73
MLEN-METHYLLEUCINEA1CSA0.73
MLEN-METHYLLEUCINEC1CWL0.73
MLEN-METHYLLEUCINEA1CYA0.73
MLEN-METHYLLEUCINEA,B,D1MF80.73
MLEN-METHYLLEUCINEC1BCK0.73
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.73
MLEN-METHYLLEUCINEC1CWC0.73
MLEN-METHYLLEUCINEC1CWI0.73
MLEN-METHYLLEUCINEC,D1QNH0.73
MLEN-METHYLLEUCINEB,D,F,H2RMC0.73
MLEN-METHYLLEUCINEC1CWM0.73
MLEN-METHYLLEUCINET,U,V2POY0.73
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.73
MLEN-METHYLLEUCINEC1CWO0.73
MLEN-METHYLLEUCINEA1IKL0.73
ILGGLUTAMYL GROUPA1EVC0.72
ILGGLUTAMYL GROUPA1XY50.72
ILGGLUTAMYL GROUPA1EVA0.72
ILGGLUTAMYL GROUPA1LCM0.72
ILGGLUTAMYL GROUPC,D2GSR0.72
ILGGLUTAMYL GROUPA1XY40.72
ILGGLUTAMYL GROUPA,B,C,D,E,F,
G,H
1AQX0.72
ILGGLUTAMYL GROUPA,B,C,D,E,F,
G,H
1AQW0.72
ILGGLUTAMYL GROUPA1EVB0.72
ILGGLUTAMYL GROUPA,B,C,D1I7Q0.72
ILGGLUTAMYL GROUPA,B1GAC0.72
ILGGLUTAMYL GROUPA1EVD0.72
ILGGLUTAMYL GROUPA,B,C,D1AQV0.72
CANCANALINEA,B,C2CAN0.75
STASTATINEE1EPP0.71
STASTATINEI1XN30.71
STASTATINEA,B,I,J2FIV0.71
STASTATINEA,B,C,D1QS80.71
STASTATINEA,B2RMP0.71
STASTATINEE,I1APU0.71
STASTATINEA,I1GVU0.71
STASTATINEI3ER50.71
STASTATINEI2ER90.71
STASTATINEE,I4ER20.71
STASTATINEA,C,I,J,K2B7F0.71
STASTATINEA,B,C5HVP0.71
STASTATINEA,I1GVV0.71
STASTATINEA,I1WKR0.71
STASTATINEI5APR0.71
STASTATINEI1PSO0.71
STASTATINEI6APR0.71
STASTATINEA1FQ50.71
STASTATINEA,I3FNT0.71
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.71
STASTATINEA,B,C,D,I,J1LYB0.71
STASTATINEB1FIV0.71
STASTATINEI4APR0.71
LDO6-HYDROXY-L-NORLEUCINEA,B,C,D1JSR0.73
IMLN-METHYL-ISOLEUCINEC1CWM0.76
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J320.75
ASKDEHYDROXYMETHYLASPARTIC ACIDE,F1JXQ0.75
ASKDEHYDROXYMETHYLASPARTIC ACIDA,I2F4O0.75
ASKDEHYDROXYMETHYLASPARTIC ACIDA,I1X3Z0.75
ASKDEHYDROXYMETHYLASPARTIC ACIDI2CJX0.75
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J330.75
ASKDEHYDROXYMETHYLASPARTIC ACIDT,U,V,W,X,Y1QDU0.75
ASKDEHYDROXYMETHYLASPARTIC ACIDC,D1CP30.75
ASKDEHYDROXYMETHYLASPARTIC ACIDA,B,C,D,E,F1M720.75
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J300.75
ASKDEHYDROXYMETHYLASPARTIC ACIDB2J310.75
ASKDEHYDROXYMETHYLASPARTIC ACIDI2CJY0.75
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.7
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.7
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.7
OLTO-METHYL-L-THREONINEA,B,C2AOC0.71
OLTO-METHYL-L-THREONINEA,B,C2AOD0.71
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5N0.76
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5M0.76
MHLN-METHYL-4-HYDROXY-LEUCINEC1CWL0.77
UN22-AMINO-4,4-DIHYDROXYBUTANOIC ACIDA,B,C,D1H0G0.75
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA2OXK0.76
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA,B,C2OXJ0.76
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA1J8N0.76
SYM2S,4R-4-METHYLGLUTAMATEA,B1SD30.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.73
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RUA0.74
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RUL0.74
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RU90.74
MLLMETHYL L-LEUCINATEC,F,M,N2IAE0.75
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.76
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.76
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.76
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.76
KAH5-AMINO-4-HYDROXYHEXANOIC ACIDA1H7P0.77
EKE(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACIDA,I2HAL0.73
AHHAMINO-HYDROXYHEPTANOIC ACIDA,I3MAT0.71
DLED-LEUCINEA,B1ALZ0.81
DLED-LEUCINEA,B1BDW0.81
DLED-LEUCINEA,D1CZQ0.81
DLED-LEUCINEA1BFW0.81
DLED-LEUCINEE,F,G,H1XN20.81
DLED-LEUCINEA,B,C,D1GMK0.81
DLED-LEUCINEA,B1TKQ0.81
DLED-LEUCINEA,B,C,H,K,L2R5D0.81
DLED-LEUCINEA2NPV0.81
DLED-LEUCINEA,B,C,D2R3C0.81
DLED-LEUCINEB,D,E1AFQ0.81
DLED-LEUCINEA,B1MIC0.81
DLED-LEUCINEA,B1NRU0.81
DLED-LEUCINEA,B1JNO0.81
DLED-LEUCINEA,B1GRM0.81
DLED-LEUCINEA,B1NRM0.81
DLED-LEUCINEA,D2Q3I0.81
DLED-LEUCINEA,B1NT50.81
DLED-LEUCINEA2JUE0.81
DLED-LEUCINEA,B,C,D1AV20.81
DLED-LEUCINEA1YY20.81
DLED-LEUCINEA,B1AL40.81
DLED-LEUCINEA,B1NG80.81
DLED-LEUCINEA,B1ALX0.81
DLED-LEUCINEA,B1JO40.81
DLED-LEUCINEA,B,C,H,K,L2R5B0.81
DLED-LEUCINEA,B1MAG0.81
DLED-LEUCINEA,B1NT60.81
DLED-LEUCINEA,B2Q330.81
DLED-LEUCINEA,B1JO30.81
DLED-LEUCINEE,I1BLL0.81
DLED-LEUCINEA,B1KQE0.81
DLED-LEUCINEA,B,C,D1W5U0.81
DLED-LEUCINEA,B,C,D2IZQ0.81
DLED-LEUCINEA1C4B0.81
DLED-LEUCINEA,B,C,D1C4D0.81
LEPN-phosphono-L-leucineE2TMN0.72
LIS(2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACIDA,B1O900.8
LIS(2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACIDA,B1O930.8
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.77
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.71
AA42-AMINO-5-HYDROXYPENTANOIC ACIDB1MIK0.77
AA42-AMINO-5-HYDROXYPENTANOIC ACIDE,I1QR30.77
AVG2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACIDA1IAY0.72
GAU(4S)-4-AMINO-5-HYDROXYPENTANOIC ACIDA,B,C,D2CV10.74
GAU(4S)-4-AMINO-5-HYDROXYPENTANOIC ACIDA,B,C,D2DXI0.74
ILX4,5-DIHYDROXYISOLEUCINEA,B,C,I,J,L,M3CQZ0.9
ILX4,5-DIHYDROXYISOLEUCINEA,B,C,I,J,L,M1K830.9
ILX4,5-DIHYDROXYISOLEUCINEA,B,C,I,J,L,
M,T
2VUM0.9
BIU5-bromo-L-isoleucineA3EDS0.78
CAB4-CARBOXY-4-AMINOBUTANALA,B,M,N1FJM0.72
CAB4-CARBOXY-4-AMINOBUTANALC,I2IE30.72
CAB4-CARBOXY-4-AMINOBUTANALC,F,X,Y2NPP0.72
CAB4-CARBOXY-4-AMINOBUTANALA,B1DJO0.72
DNED-NORLEUCINEA1R9V0.72
DNED-NORLEUCINEA,B1S4A0.72
DNED-NORLEUCINEA,B1S1O0.72
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.79
ORNORNITHINEE1LAH0.7
ORNORNITHINEB,C,E,F,H,I,
K,L
1JDB0.7
ORNORNITHINEA,Y1TK20.7
ORNORNITHINEA,B,C2W6U0.7
ORNORNITHINEA1T5M0.7
ORNORNITHINEA,B,C,D,E,G,H1BXR0.7
ORNORNITHINEA,B,C,D,E,F,
G,H
1KEE0.7
ORNORNITHINEA,B,C1HQG0.7
ORNORNITHINEA,B,C2W6T0.7
ORNORNITHINEA,B1X7D0.7
ORNORNITHINEA1T5N0.7
ORNORNITHINEA,B,C,D,E,F,
G,H
1CE80.7
ORNORNITHINEA1DSR0.7
ORNORNITHINEA,B,C,D,E,F,
G,H
1A9X0.7
ORNORNITHINEH,K,L,M,P,R1N0X0.7
ORNORNITHINEA,B2PM50.7
ORNORNITHINEA,B,C,D,E,F,
G,H
1CS00.7
ORNORNITHINEE,I1QR30.7
ORNORNITHINEA1HTH0.7
ORNORNITHINEA,B,C,D,E,F,
G,H
1M6V0.7
ORNORNITHINEA,B,C,D,E,F,
G,H
1C3O0.7
ORNORNITHINEA,B,C,D,E,F,
G,H
1C300.7
ORNORNITHINEA1XT70.7
ORNORNITHINEA3JDW0.7
ORNORNITHINEA,B,C,D,E,F,
G,H
1T360.7
ORNORNITHINEA,B1B2H0.7
ORNORNITHINEA,B,C,D,E,F4CEV0.7
NLENORLEUCINEA1MMT0.72
NLENORLEUCINEA,B1JB60.72
NLENORLEUCINEC1K2B0.72
NLENORLEUCINEA,B,C2AVQ0.72
NLENORLEUCINEC,D,I,L1R1L0.72
NLENORLEUCINEE,S2RLN0.72
NLENORLEUCINEE,S1Z3L0.72
NLENORLEUCINEA,B,C2AOD0.72
NLENORLEUCINEA,B,C2J9J0.72
NLENORLEUCINEA,B,I4HVP0.72
NLENORLEUCINEA,B,C2AVM0.72
NLENORLEUCINEB,C1K1T0.72
NLENORLEUCINEA,B,C2AOC0.72
NLENORLEUCINEA,B,C2JE40.72
NLENORLEUCINEA,B,I3DCK0.72
NLENORLEUCINEB1EOL0.72
NLENORLEUCINEA1FF00.72
NLENORLEUCINEA1FG60.72
NLENORLEUCINEA1FGC0.72
NLENORLEUCINEE,S1Z3M0.72
NLENORLEUCINEA2RME0.72
NLENORLEUCINEB1FGL0.72
NLENORLEUCINEC1K1U0.72
NLENORLEUCINEA,B1B7H0.72
NLENORLEUCINEA1HTH0.72
NLENORLEUCINEA,B,D2J9K0.72
NLENORLEUCINEA2RMD0.72
NLENORLEUCINEA,B,C2AOG0.72
NLENORLEUCINEA2RMI0.72
NLENORLEUCINEI1EPO0.72
NLENORLEUCINEA1FFI0.72
NLENORLEUCINEA1HD90.72
NLENORLEUCINEA1FFF0.72
NLENORLEUCINEB2JND0.72
NLENORLEUCINEA1FEJ0.72
NLENORLEUCINEA2K9E0.72
NLENORLEUCINEC1CFN0.72
NLENORLEUCINEC1K2C0.72
NLENORLEUCINEA1WY40.72
NLENORLEUCINEA1FQ80.72
NLENORLEUCINEA,B1S1O0.72
NLENORLEUCINEA2F4K0.72
NLENORLEUCINEA,B1D5E0.72
NLENORLEUCINEA2JX40.72
NLENORLEUCINEA1FG80.72
NLENORLEUCINEA1WY30.72
NLENORLEUCINEI1YTJ0.72
NLENORLEUCINEA,B,I3DCR0.72
NLENORLEUCINEA,I2O400.72
NLENORLEUCINEA,B2GYP0.72
NLENORLEUCINEC,F1A8K0.72
NLENORLEUCINEC1BAI0.72
NLENORLEUCINEA,B2JT90.72
NLENORLEUCINEA2RM90.72
NLENORLEUCINEA,B1DAZ0.72
NLENORLEUCINEA1F3R0.72
NLENORLEUCINEA,I2JXR0.72
NLENORLEUCINEC,F1A940.72
NLENORLEUCINEA,B1S4A0.72
NLENORLEUCINEA1R9V0.72
NLENORLEUCINEA,B,C,D,E,F2Z2T0.72
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.77
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.77
NVANORVALINEB,C1CA80.77
NVANORVALINEB,C,D1BA80.77
NVANORVALINEA1C9Y0.77
NVANORVALINEA,D2BTE0.77
NVANORVALINEA1OBH0.77
NVANORVALINEE,S1Z3P0.77
NVANORVALINEA1ZNM0.77
NVANORVALINEA1JDX0.77
NVANORVALINEA1FB50.77
NVANORVALINEA1OBC0.77
NVANORVALINE11YYY0.77
NVANORVALINEA,B1B6H0.77
NVANORVALINEA,B1ZZZ0.77
NVANORVALINEA,B,C2I6U0.77
NVANORVALINEB,C1BB00.77
NVANORVALINEE,S1Z3M0.77
LYZ5-HYDROXYLYSINEA,B,C,D1QGW0.71
LYZ5-HYDROXYLYSINEA,B,C,D1XG00.71
LYZ5-HYDROXYLYSINEA,B,C,D1XF60.71
LYZ5-HYDROXYLYSINEA,B,C1YGV0.71
LYZ5-HYDROXYLYSINEA,B,C1Y0F0.71
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.73
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.73
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.73
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.73
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.73
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
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