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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02440537

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
MLEN-METHYLLEUCINEA,D2J9A0.74
MLEN-METHYLLEUCINEC1IKF0.74
MLEN-METHYLLEUCINEA,M,N2Z6W0.74
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.74
MLEN-METHYLLEUCINED,E,F1XQ70.74
MLEN-METHYLLEUCINEC1CWA0.74
MLEN-METHYLLEUCINEC1CWF0.74
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.74
MLEN-METHYLLEUCINEB3CYS0.74
MLEN-METHYLLEUCINEC1CWH0.74
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.74
MLEN-METHYLLEUCINEC1CYN0.74
MLEN-METHYLLEUCINEA1LV90.74
MLEN-METHYLLEUCINEC,D2OJU0.74
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.74
MLEN-METHYLLEUCINEA1IKM0.74
MLEN-METHYLLEUCINEC1CWK0.74
MLEN-METHYLLEUCINEA,B2HG80.74
MLEN-METHYLLEUCINEC1CWB0.74
MLEN-METHYLLEUCINEC1CWJ0.74
MLEN-METHYLLEUCINEA1CYB0.74
MLEN-METHYLLEUCINED1QNG0.74
MLEN-METHYLLEUCINEB1MIK0.74
MLEN-METHYLLEUCINEA1CSA0.74
MLEN-METHYLLEUCINEC1CWL0.74
MLEN-METHYLLEUCINEA1CYA0.74
MLEN-METHYLLEUCINEA,B,D1MF80.74
MLEN-METHYLLEUCINEC1BCK0.74
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.74
MLEN-METHYLLEUCINEC1CWC0.74
MLEN-METHYLLEUCINEC1CWI0.74
MLEN-METHYLLEUCINEC,D1QNH0.74
MLEN-METHYLLEUCINEB,D,F,H2RMC0.74
MLEN-METHYLLEUCINEC1CWM0.74
MLEN-METHYLLEUCINET,U,V2POY0.74
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.74
MLEN-METHYLLEUCINEC1CWO0.74
MLEN-METHYLLEUCINEA1IKL0.74
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDB,C3BV90.75
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDA1BDK0.75
H5MTRANS-3-HYDROXY-5-METHYLPROLINEA,B1A7Z0.71
UN12-AMINOHEXANEDIOIC ACIDA,B,C,D1H0G0.73
DPRD-PROLINEP1MCB0.71
DPRD-PROLINEA,B,C,H,K,L2R5B0.71
DPRD-PROLINEA2KDQ0.71
DPRD-PROLINEP1MCS0.71
DPRD-PROLINEA,B2AXI0.71
DPRD-PROLINEA1JY90.71
DPRD-PROLINEA2JUE0.71
DPRD-PROLINEP1MCK0.71
DPRD-PROLINEP1MCR0.71
DPRD-PROLINEA2D550.71
DPRD-PROLINEA1T8J0.71
DPRD-PROLINEA,B2EJ60.71
DPRD-PROLINEP1MCE0.71
DPRD-PROLINEP1MCI0.71
DPRD-PROLINEA,B1SNE0.71
DPRD-PROLINEA,B,C1QFI0.71
DPRD-PROLINEA,P1MCD0.71
DPRD-PROLINEA1ICL0.71
DPRD-PROLINEP1MCQ0.71
DPRD-PROLINEG,M,P,S2I5Y0.71
DPRD-PROLINEA,B,C,D3BOG0.71
DPRD-PROLINEA,L1ZEA0.71
DPRD-PROLINEA,B173D0.71
DPRD-PROLINEA,P1MCJ0.71
DPRD-PROLINEA,B,C1A7Y0.71
DPRD-PROLINEA1IC90.71
DPRD-PROLINEA,B1JY60.71
DPRD-PROLINEA209D0.71
DPRD-PROLINEA1BFW0.71
DPRD-PROLINEA,B1O6I0.71
DPRD-PROLINEA,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
DPRD-PROLINEA,B,C,D2R3C0.71
DPRD-PROLINEA,B,C,D1I3W0.71
DPRD-PROLINEA316D0.71
DPRD-PROLINEA,B,C,D1SN90.71
DPRD-PROLINEA,B,C,H,K,L2R5D0.71
DPRD-PROLINEA,B2Q330.71
DPRD-PROLINEG,M,P,S2I600.71
DPRD-PROLINEA,B1JY40.71
DPRD-PROLINEP1MCF0.71
DPRD-PROLINEA,B,C,D,E,F1UNM0.71
DPRD-PROLINEA1ICO0.71
DPRD-PROLINEA,B1XOF0.71
DPRD-PROLINEP1MCC0.71
DPRD-PROLINEA,B,C,D1SNA0.71
CYJ(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-
4-(CARBOXYMETHYL)PIPERIDIN-3-YLIDENE]-
L-LYSINE
A,B2C140.74
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.74
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.74
DNMN-METHYL-D-NORLEUCINEA1R9V0.74
IMLN-METHYL-ISOLEUCINEC1CWM0.71
POMCIS-5-METHYL-4-OXOPROLINEA,B1A7Z0.75
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.84
SSC(2S,5S)-5-CARBOXYMETHYLPROLINEA,B,C,D1Q190.79
52A(2R,4R)-4-aminopyrrolidine-2,4-
dicarboxylic acid
A,B2E4Y0.7
LP66-piperidin-1-yl-L-norleucineA,B2W7Z0.72
CPI6-CARBOXYPIPERIDINEA,B,C,D,F,Q1EFR0.81
CPI6-CARBOXYPIPERIDINEB1EOL0.81
CPI6-CARBOXYPIPERIDINEB1EOJ0.81
CPI6-CARBOXYPIPERIDINEA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.81
CPI6-CARBOXYPIPERIDINEA,B2ITK0.81
CPI6-CARBOXYPIPERIDINEA,B2Q5A0.81
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.76
LLYNZ-(DICARBOXYMETHYL)LYSINEA,B1UCW0.7
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.73
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.73
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.73