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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02109806

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.71
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.71
HLUBETA-HYDROXYLEUCINEA1ROV0.72
2ML2-METHYLLEUCINEA,B,C1I1L0.93
2ML2-METHYLLEUCINEA2RM90.93
2ML2-METHYLLEUCINEA2RMD0.93
DIVD-ISOVALINEA1IH90.8
DIVD-ISOVALINEA1DLZ0.8
DIVD-ISOVALINEA1OB40.8
DIVD-ISOVALINEA,B1JOH0.8
DIVD-ISOVALINEA1EE70.8
DIVD-ISOVALINEA,B1OB60.8
DIVD-ISOVALINEA1GQ00.8
DIVD-ISOVALINEA1OB70.8
DIVD-ISOVALINEA1R9U0.8
MLEN-METHYLLEUCINEA,D2J9A0.75
MLEN-METHYLLEUCINEC1IKF0.75
MLEN-METHYLLEUCINEA,M,N2Z6W0.75
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.75
MLEN-METHYLLEUCINED,E,F1XQ70.75
MLEN-METHYLLEUCINEC1CWA0.75
MLEN-METHYLLEUCINEC1CWF0.75
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.75
MLEN-METHYLLEUCINEB3CYS0.75
MLEN-METHYLLEUCINEC1CWH0.75
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.75
MLEN-METHYLLEUCINEC1CYN0.75
MLEN-METHYLLEUCINEA1LV90.75
MLEN-METHYLLEUCINEC,D2OJU0.75
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.75
MLEN-METHYLLEUCINEA1IKM0.75
MLEN-METHYLLEUCINEC1CWK0.75
MLEN-METHYLLEUCINEA,B2HG80.75
MLEN-METHYLLEUCINEC1CWB0.75
MLEN-METHYLLEUCINEC1CWJ0.75
MLEN-METHYLLEUCINEA1CYB0.75
MLEN-METHYLLEUCINED1QNG0.75
MLEN-METHYLLEUCINEB1MIK0.75
MLEN-METHYLLEUCINEA1CSA0.75
MLEN-METHYLLEUCINEC1CWL0.75
MLEN-METHYLLEUCINEA1CYA0.75
MLEN-METHYLLEUCINEA,B,D1MF80.75
MLEN-METHYLLEUCINEC1BCK0.75
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.75
MLEN-METHYLLEUCINEC1CWC0.75
MLEN-METHYLLEUCINEC1CWI0.75
MLEN-METHYLLEUCINEC,D1QNH0.75
MLEN-METHYLLEUCINEB,D,F,H2RMC0.75
MLEN-METHYLLEUCINEC1CWM0.75
MLEN-METHYLLEUCINET,U,V2POY0.75
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.75
MLEN-METHYLLEUCINEC1CWO0.75
MLEN-METHYLLEUCINEA1IKL0.75
0A02-methyl-L-aspartic acidA1ART0.71
DVAD-VALINEA,B,C,D1C4D0.73
DVAD-VALINEA,B,C,D3BOG0.73
DVAD-VALINEA,B,C,D1GMK0.73
DVAD-VALINEA209D0.73
DVAD-VALINEA,B1TKQ0.73
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
1UNJ0.73
DVAD-VALINEA,B1MIC0.73
DVAD-VALINEA,B1NRU0.73
DVAD-VALINEA1DSD0.73
DVAD-VALINEB1L1V0.73
DVAD-VALINEA,B1JNO0.73
DVAD-VALINEA,B1NRM0.73
DVAD-VALINEA,B1NT50.73
DVAD-VALINEA2JUE0.73
DVAD-VALINEA,B,C,D1AV20.73
DVAD-VALINEA,B2FCN0.73
DVAD-VALINEA,B1A7Z0.73
DVAD-VALINEA,B1AL40.73
DVAD-VALINEA,B1NG80.73
DVAD-VALINEA2D550.73
DVAD-VALINEA1DSC0.73
DVAD-VALINEA,B1ALX0.73
DVAD-VALINEA,B1JO40.73
DVAD-VALINEA,B1MAG0.73
DVAD-VALINEA,B1NT60.73
DVAD-VALINEA,B2Q330.73
DVAD-VALINEA,B1JO30.73
DVAD-VALINEC,D1MNV0.73
DVAD-VALINEA,B1KQE0.73
DVAD-VALINEA,B,C,D1W5U0.73
DVAD-VALINEA,B,C,D2IZQ0.73
DVAD-VALINEA,B,C,D,E,F1UNM0.73
DVAD-VALINEA,C,D1S4V0.73
DVAD-VALINEA,B1OVF0.73
DVAD-VALINEA,L1ZEA0.73
DVAD-VALINEA,B1ALZ0.73
DVAD-VALINEA,B,C1A7Y0.73
DVAD-VALINEA,B173D0.73
DVAD-VALINEA,B1BDW0.73
DVAD-VALINEA,B1FJA0.73
DVAD-VALINEA1BFW0.73
DVAD-VALINEA,B,C,D1I3W0.73
DVAD-VALINEA316D0.73
DVAD-VALINEA,B,C1QFI0.73
DVAD-VALINEA,B1GRM0.73
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1OB60.73
AIBALPHA-AMINOISOBUTYRIC ACIDA1FVN0.73
AIBALPHA-AMINOISOBUTYRIC ACIDH,I4THN0.73
AIBALPHA-AMINOISOBUTYRIC ACIDA3CMH0.73
AIBALPHA-AMINOISOBUTYRIC ACIDA6CMH0.73
AIBALPHA-AMINOISOBUTYRIC ACIDA,B,C1AMT0.73
AIBALPHA-AMINOISOBUTYRIC ACIDP1F580.73
AIBALPHA-AMINOISOBUTYRIC ACIDP,Q,R,S2FX80.73
AIBALPHA-AMINOISOBUTYRIC ACIDA1GQ00.73
AIBALPHA-AMINOISOBUTYRIC ACIDA1R9U0.73
AIBALPHA-AMINOISOBUTYRIC ACIDA1OB70.73
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1FEV0.73
AIBALPHA-AMINOISOBUTYRIC ACIDA1DLZ0.73
AIBALPHA-AMINOISOBUTYRIC ACIDB2GV20.73
AIBALPHA-AMINOISOBUTYRIC ACIDA1IH90.73
AIBALPHA-AMINOISOBUTYRIC ACIDL3FE70.73
AIBALPHA-AMINOISOBUTYRIC ACIDA1GO90.73
AIBALPHA-AMINOISOBUTYRIC ACIDA1GOE0.73
AIBALPHA-AMINOISOBUTYRIC ACIDA,L,M3FEA0.73
AIBALPHA-AMINOISOBUTYRIC ACIDA1OB40.73
AIBALPHA-AMINOISOBUTYRIC ACIDH,I5GDS0.73
AIBALPHA-AMINOISOBUTYRIC ACIDE,I1QR30.73
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1JOH0.73
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1M240.73
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1V6D0.73
AIBALPHA-AMINOISOBUTYRIC ACIDA,B,C,D,F,Q1EFR0.73
AIBALPHA-AMINOISOBUTYRIC ACIDP1AI10.73
AIBALPHA-AMINOISOBUTYRIC ACIDA1EE70.73
LME(3R)-3-METHYL-L-GLUTAMIC ACIDA1XT70.71
1921-AMINOCYCLOBUTANECARBOXLIC ACIDA1Y1Z0.83
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.77
IMLN-METHYL-ISOLEUCINEC1CWM0.71
LED(4R)-5-OXO-L-LEUCINEA2IUW0.73
GAMALPHA-METHYL-L-GLUTAMIC ACIDA,B1BJO0.8
SYM2S,4R-4-METHYLGLUTAMATEA,B1SD30.75
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBM0.76
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBN0.76
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBU0.76
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBO0.76
MGN2-METHYL-GLUTAMINEA,C,D,F1MRO0.76
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5N0.71
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5M0.71
NVANORVALINEB,C1CA80.76
NVANORVALINEB,C,D1BA80.76
NVANORVALINEA1C9Y0.76
NVANORVALINEA,D2BTE0.76
NVANORVALINEA1OBH0.76
NVANORVALINEE,S1Z3P0.76
NVANORVALINEA1ZNM0.76
NVANORVALINEA1JDX0.76
NVANORVALINEA1FB50.76
NVANORVALINEA1OBC0.76
NVANORVALINE11YYY0.76
NVANORVALINEA,B1B6H0.76
NVANORVALINEA,B1ZZZ0.76
NVANORVALINEA,B,C2I6U0.76
NVANORVALINEB,C1BB00.76
NVANORVALINEE,S1Z3M0.76
DILD-ISOLEUCINEA,B2Q330.8
DILD-ISOLEUCINEA1CWZ0.8
DILD-ISOLEUCINEA1CVQ0.8
DILD-ISOLEUCINEA1C4B0.8
DILD-ISOLEUCINEA1CW80.8
DILD-ISOLEUCINEA2AP80.8
IILISO-ISOLEUCINEA,B,C,D1Q4V0.8
IILISO-ISOLEUCINEA1KMF0.8
IILISO-ISOLEUCINEA,B,C1TGG0.8
IILISO-ISOLEUCINEA1RH40.8
DLED-LEUCINEA,B1ALZ0.84
DLED-LEUCINEA,B1BDW0.84
DLED-LEUCINEA,D1CZQ0.84
DLED-LEUCINEA1BFW0.84
DLED-LEUCINEE,F,G,H1XN20.84
DLED-LEUCINEA,B,C,D1GMK0.84
DLED-LEUCINEA,B1TKQ0.84
DLED-LEUCINEA,B,C,H,K,L2R5D0.84
DLED-LEUCINEA2NPV0.84
DLED-LEUCINEA,B,C,D2R3C0.84
DLED-LEUCINEB,D,E1AFQ0.84
DLED-LEUCINEA,B1MIC0.84
DLED-LEUCINEA,B1NRU0.84
DLED-LEUCINEA,B1JNO0.84
DLED-LEUCINEA,B1GRM0.84
DLED-LEUCINEA,B1NRM0.84
DLED-LEUCINEA,D2Q3I0.84
DLED-LEUCINEA,B1NT50.84
DLED-LEUCINEA2JUE0.84
DLED-LEUCINEA,B,C,D1AV20.84
DLED-LEUCINEA1YY20.84
DLED-LEUCINEA,B1AL40.84
DLED-LEUCINEA,B1NG80.84
DLED-LEUCINEA,B1ALX0.84
DLED-LEUCINEA,B1JO40.84
DLED-LEUCINEA,B,C,H,K,L2R5B0.84
DLED-LEUCINEA,B1MAG0.84
DLED-LEUCINEA,B1NT60.84
DLED-LEUCINEA,B2Q330.84
DLED-LEUCINEA,B1JO30.84
DLED-LEUCINEE,I1BLL0.84
DLED-LEUCINEA,B1KQE0.84
DLED-LEUCINEA,B,C,D1W5U0.84
DLED-LEUCINEA,B,C,D2IZQ0.84
DLED-LEUCINEA1C4B0.84
DLED-LEUCINEA,B,C,D1C4D0.84
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.71
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.71
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.71
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.71
MLLMETHYL L-LEUCINATEC,F,M,N2IAE0.73
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDA,B,C,D1J0E0.78
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDA1Y200.78
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDA,B2RC90.78
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDA,L,M3FEA0.78
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDA,B,C,D1TZ20.78
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDB2GV20.78
1AC1-AMINOCYCLOPROPANECARBOXYLIC ACIDL3FE70.78
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.8
CPC2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACIDC,D193D0.81
DMOALPHA-DIFLUOROMETHYLORNITHINEA,B,C,D2TOD0.71
LEPN-phosphono-L-leucineE2TMN0.73
BIU5-bromo-L-isoleucineA3EDS0.73