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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02454702

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IMLN-METHYL-ISOLEUCINEC1CWM0.8
CPC2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACIDC,D193D0.74
MLEN-METHYLLEUCINEA,D2J9A0.84
MLEN-METHYLLEUCINEC1IKF0.84
MLEN-METHYLLEUCINEA,M,N2Z6W0.84
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.84
MLEN-METHYLLEUCINED,E,F1XQ70.84
MLEN-METHYLLEUCINEC1CWA0.84
MLEN-METHYLLEUCINEC1CWF0.84
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.84
MLEN-METHYLLEUCINEB3CYS0.84
MLEN-METHYLLEUCINEC1CWH0.84
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.84
MLEN-METHYLLEUCINEC1CYN0.84
MLEN-METHYLLEUCINEA1LV90.84
MLEN-METHYLLEUCINEC,D2OJU0.84
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.84
MLEN-METHYLLEUCINEA1IKM0.84
MLEN-METHYLLEUCINEC1CWK0.84
MLEN-METHYLLEUCINEA,B2HG80.84
MLEN-METHYLLEUCINEC1CWB0.84
MLEN-METHYLLEUCINEC1CWJ0.84
MLEN-METHYLLEUCINEA1CYB0.84
MLEN-METHYLLEUCINED1QNG0.84
MLEN-METHYLLEUCINEB1MIK0.84
MLEN-METHYLLEUCINEA1CSA0.84
MLEN-METHYLLEUCINEC1CWL0.84
MLEN-METHYLLEUCINEA1CYA0.84
MLEN-METHYLLEUCINEA,B,D1MF80.84
MLEN-METHYLLEUCINEC1BCK0.84
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.84
MLEN-METHYLLEUCINEC1CWC0.84
MLEN-METHYLLEUCINEC1CWI0.84
MLEN-METHYLLEUCINEC,D1QNH0.84
MLEN-METHYLLEUCINEB,D,F,H2RMC0.84
MLEN-METHYLLEUCINEC1CWM0.84
MLEN-METHYLLEUCINET,U,V2POY0.84
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.84
MLEN-METHYLLEUCINEC1CWO0.84
MLEN-METHYLLEUCINEA1IKL0.84
MHLN-METHYL-4-HYDROXY-LEUCINEC1CWL0.75
DM0N~2~,N~2~,N~6~,N~6~-tetramethyl-
L-lysine
A132L0.75
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.72
PBE1,1-DIMETHYL-PROLINIUMA,B2B4M0.71
PBE1,1-DIMETHYL-PROLINIUMA1R9Q0.71
PBE1,1-DIMETHYL-PROLINIUMA,B1SW10.71
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.74
MVAN-METHYLVALINEA209D0.75
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.75
MVAN-METHYLVALINEC1CWH0.75
MVAN-METHYLVALINEA,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
MVAN-METHYLVALINEA1DSD0.75
MVAN-METHYLVALINEB1L1V0.75
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.75
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.75
MVAN-METHYLVALINEC1CWO0.75
MVAN-METHYLVALINEC1CWL0.75
MVAN-METHYLVALINEB1MIK0.75
MVAN-METHYLVALINEA1CSA0.75
MVAN-METHYLVALINEC1CWM0.75
MVAN-METHYLVALINEA1PFE0.75
MVAN-METHYLVALINEA,B,D,E,F,H1M630.75
MVAN-METHYLVALINEC1CWC0.75
MVAN-METHYLVALINEB,D,F,H2RMC0.75
MVAN-METHYLVALINEC1CWK0.75
MVAN-METHYLVALINEC1CYN0.75
MVAN-METHYLVALINEC,D1MNV0.75
MVAN-METHYLVALINEC,D2OJU0.75
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.75
MVAN-METHYLVALINEA1CYB0.75
MVAN-METHYLVALINED1QNG0.75
MVAN-METHYLVALINEA,C,E,G2ADW0.75
MVAN-METHYLVALINEC1CWB0.75
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.75
MVAN-METHYLVALINEA,B1OVF0.75
MVAN-METHYLVALINEA,B185D0.75
MVAN-METHYLVALINEA1XVK0.75
MVAN-METHYLVALINEA,C1XVR0.75
MVAN-METHYLVALINEA,B173D0.75
MVAN-METHYLVALINEA,B1FJA0.75
MVAN-METHYLVALINEB3CYS0.75
MVAN-METHYLVALINEA,B,C1A7Y0.75
MVAN-METHYLVALINEA,B,C1L5G0.75
MVAN-METHYLVALINEA,B,C,D1I3W0.75
MVAN-METHYLVALINEA316D0.75
MVAN-METHYLVALINEA1XVN0.75
MVAN-METHYLVALINEC1IKF0.75
MVAN-METHYLVALINEA,M,N2Z6W0.75
MVAN-METHYLVALINEA,B,C1QFI0.75
MVAN-METHYLVALINEA,B3GO30.75
MVAN-METHYLVALINEC1CWA0.75
MVAN-METHYLVALINEC1CWF0.75
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.75
MVAN-METHYLVALINED,E,F1XQ70.75
MVAN-METHYLVALINEA1CYA0.75
MVAN-METHYLVALINEA,B,D1MF80.75
MVAN-METHYLVALINEA,B1A7Z0.75
MVAN-METHYLVALINEA1DSC0.75
MVAN-METHYLVALINET,U,V2POY0.75
MVAN-METHYLVALINEA2D550.75
MVAN-METHYLVALINEC1BCK0.75
MVAN-METHYLVALINEC1CWI0.75
MVAN-METHYLVALINEC,D1QNH0.75
MVAN-METHYLVALINEA1VS20.75
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.73
2ML2-METHYLLEUCINEA,B,C1I1L0.7
2ML2-METHYLLEUCINEA2RM90.7
2ML2-METHYLLEUCINEA2RMD0.7
DLED-LEUCINEA,B1ALZ0.76
DLED-LEUCINEA,B1BDW0.76
DLED-LEUCINEA,D1CZQ0.76
DLED-LEUCINEA1BFW0.76
DLED-LEUCINEE,F,G,H1XN20.76
DLED-LEUCINEA,B,C,D1GMK0.76
DLED-LEUCINEA,B1TKQ0.76
DLED-LEUCINEA,B,C,H,K,L2R5D0.76
DLED-LEUCINEA2NPV0.76
DLED-LEUCINEA,B,C,D2R3C0.76
DLED-LEUCINEB,D,E1AFQ0.76
DLED-LEUCINEA,B1MIC0.76
DLED-LEUCINEA,B1NRU0.76
DLED-LEUCINEA,B1JNO0.76
DLED-LEUCINEA,B1GRM0.76
DLED-LEUCINEA,B1NRM0.76
DLED-LEUCINEA,D2Q3I0.76
DLED-LEUCINEA,B1NT50.76
DLED-LEUCINEA2JUE0.76
DLED-LEUCINEA,B,C,D1AV20.76
DLED-LEUCINEA1YY20.76
DLED-LEUCINEA,B1AL40.76
DLED-LEUCINEA,B1NG80.76
DLED-LEUCINEA,B1ALX0.76
DLED-LEUCINEA,B1JO40.76
DLED-LEUCINEA,B,C,H,K,L2R5B0.76
DLED-LEUCINEA,B1MAG0.76
DLED-LEUCINEA,B1NT60.76
DLED-LEUCINEA,B2Q330.76
DLED-LEUCINEA,B1JO30.76
DLED-LEUCINEE,I1BLL0.76
DLED-LEUCINEA,B1KQE0.76
DLED-LEUCINEA,B,C,D1W5U0.76
DLED-LEUCINEA,B,C,D2IZQ0.76
DLED-LEUCINEA1C4B0.76
DLED-LEUCINEA,B,C,D1C4D0.76
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.71
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.71
DNMN-METHYL-D-NORLEUCINEA1R9V0.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.7
AN0N-ACETYL-L-NORVALINEA1ZQ80.7
DILD-ISOLEUCINEA,B2Q330.73
DILD-ISOLEUCINEA1CWZ0.73
DILD-ISOLEUCINEA1CVQ0.73
DILD-ISOLEUCINEA1C4B0.73
DILD-ISOLEUCINEA1CW80.73
DILD-ISOLEUCINEA2AP80.73
IILISO-ISOLEUCINEA,B,C,D1Q4V0.73
IILISO-ISOLEUCINEA1KMF0.73
IILISO-ISOLEUCINEA,B,C1TGG0.73
IILISO-ISOLEUCINEA1RH40.73