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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009206

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ACA6-AMINOHEXANOIC ACIDA,B2JT90.78
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.78
ACA6-AMINOHEXANOIC ACIDC1ILP0.78
ACA6-AMINOHEXANOIC ACIDA2PK40.78
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.78
ACA6-AMINOHEXANOIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ60.78
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.78
ACA6-AMINOHEXANOIC ACIDA1PK20.78
ACA6-AMINOHEXANOIC ACIDA2ZM70.78
ACA6-AMINOHEXANOIC ACID0,1,2,3,6,9,
A,B,C,D,F,H,
J,K,L,M,N,O,
Q,R,S,T,U,Y,Z		3CMA0.78
ACA6-AMINOHEXANOIC ACIDC1ILQ0.78
ACA6-AMINOHEXANOIC ACIDA2ZM80.78
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQK0.78
ACA6-AMINOHEXANOIC ACIDA2DCF0.78
ACA6-AMINOHEXANOIC ACIDA1HPK0.78
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQ80.78
ACA6-AMINOHEXANOIC ACID0,1,2,3,6,9,
A,B,C,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		3CME0.78
ACA6-AMINOHEXANOIC ACIDA2ZM90.78
ACA6-AMINOHEXANOIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z		1VQN0.78
ACA6-AMINOHEXANOIC ACIDA2ZMA0.78
ACA6-AMINOHEXANOIC ACIDA3KIV0.78
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQ90.78
ZAL3-cyclohexyl-D-alanineI1HBT0.77
DLED-LEUCINEA,B1ALZ0.78
DLED-LEUCINEA,B1BDW0.78
DLED-LEUCINEA,D1CZQ0.78
DLED-LEUCINEA1BFW0.78
DLED-LEUCINEE,F,G,H1XN20.78
DLED-LEUCINEA,B,C,D1GMK0.78
DLED-LEUCINEA,B1TKQ0.78
DLED-LEUCINEA,B,C,H,K,L2R5D0.78
DLED-LEUCINEA2NPV0.78
DLED-LEUCINEA,B,C,D2R3C0.78
DLED-LEUCINEB,D,E1AFQ0.78
DLED-LEUCINEA,B1MIC0.78
DLED-LEUCINEA,B1NRU0.78
DLED-LEUCINEA,B1JNO0.78
DLED-LEUCINEA,B1GRM0.78
DLED-LEUCINEA,B1NRM0.78
DLED-LEUCINEA,D2Q3I0.78
DLED-LEUCINEA,B1NT50.78
DLED-LEUCINEA2JUE0.78
DLED-LEUCINEA,B,C,D1AV20.78
DLED-LEUCINEA1YY20.78
DLED-LEUCINEA,B1AL40.78
DLED-LEUCINEA,B1NG80.78
DLED-LEUCINEA,B1ALX0.78
DLED-LEUCINEA,B1JO40.78
DLED-LEUCINEA,B,C,H,K,L2R5B0.78
DLED-LEUCINEA,B1MAG0.78
DLED-LEUCINEA,B1NT60.78
DLED-LEUCINEA,B2Q330.78
DLED-LEUCINEA,B1JO30.78
DLED-LEUCINEE,I1BLL0.78
DLED-LEUCINEA,B1KQE0.78
DLED-LEUCINEA,B,C,D1W5U0.78
DLED-LEUCINEA,B,C,D2IZQ0.78
DLED-LEUCINEA1C4B0.78
DLED-LEUCINEA,B,C,D1C4D0.78
DO22-AMINO-6-OXO-HEXANOIC ACIDA,B1DJP0.71
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.72
API2,6-DIAMINOPIMELIC ACIDA2DAP0.72
API2,6-DIAMINOPIMELIC ACIDE,S148L0.72
6CL6-CARBOXYLYSINEU2AIZ0.72
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.78
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.78
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.78
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.78
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.7
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.7
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.78
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.78
BIU5-bromo-L-isoleucineA3EDS0.71
SYM2S,4R-4-METHYLGLUTAMATEA,B1SD30.7
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.7
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.7
DNMN-METHYL-D-NORLEUCINEA1R9V0.7
B3D3-AMINOPENTANEDIOIC ACIDA,B,C2OXJ0.71
B3D3-AMINOPENTANEDIOIC ACIDA,B,C,D3C3F0.71
B3D3-AMINOPENTANEDIOIC ACIDA2OXK0.71
B3D3-AMINOPENTANEDIOIC ACIDA3C3G0.71
B3D3-AMINOPENTANEDIOIC ACIDA3C3H0.71
LDO6-HYDROXY-L-NORLEUCINEA,B,C,D1JSR0.72
UN12-AMINOHEXANEDIOIC ACIDA,B,C,D1H0G0.72
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF01
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM1
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H1
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.7
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.7
DOA12-AMINO-DODECANOIC ACIDA2DCX0.7
DOA12-AMINO-DODECANOIC ACIDB1EOL0.7
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.73
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.76
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.79
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.79
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.79
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.79
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.79
NPI2-AMINOPIMELIC ACIDA2TDT0.74
NPI2-AMINOPIMELIC ACIDA1KGQ0.74
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.71
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.77
MLEN-METHYLLEUCINEA,D2J9A0.7
MLEN-METHYLLEUCINEC1IKF0.7
MLEN-METHYLLEUCINEA,M,N2Z6W0.7
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P		1C5F0.7
MLEN-METHYLLEUCINED,E,F1XQ70.7
MLEN-METHYLLEUCINEC1CWA0.7
MLEN-METHYLLEUCINEC1CWF0.7
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T		2RMB0.7
MLEN-METHYLLEUCINEB3CYS0.7
MLEN-METHYLLEUCINEC1CWH0.7
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H		3BO70.7
MLEN-METHYLLEUCINEC1CYN0.7
MLEN-METHYLLEUCINEA1LV90.7
MLEN-METHYLLEUCINEC,D2OJU0.7
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T		2RMA0.7
MLEN-METHYLLEUCINEA1IKM0.7
MLEN-METHYLLEUCINEC1CWK0.7
MLEN-METHYLLEUCINEA,B2HG80.7
MLEN-METHYLLEUCINEC1CWB0.7
MLEN-METHYLLEUCINEC1CWJ0.7
MLEN-METHYLLEUCINEA1CYB0.7
MLEN-METHYLLEUCINED1QNG0.7
MLEN-METHYLLEUCINEB1MIK0.7
MLEN-METHYLLEUCINEA1CSA0.7
MLEN-METHYLLEUCINEC1CWL0.7
MLEN-METHYLLEUCINEA1CYA0.7
MLEN-METHYLLEUCINEA,B,D1MF80.7
MLEN-METHYLLEUCINEC1BCK0.7
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.7
MLEN-METHYLLEUCINEC1CWC0.7
MLEN-METHYLLEUCINEC1CWI0.7
MLEN-METHYLLEUCINEC,D1QNH0.7
MLEN-METHYLLEUCINEB,D,F,H2RMC0.7
MLEN-METHYLLEUCINEC1CWM0.7
MLEN-METHYLLEUCINET,U,V2POY0.7
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N		2ESL0.7
MLEN-METHYLLEUCINEC1CWO0.7
MLEN-METHYLLEUCINEA1IKL0.7
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.92
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.92
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.92
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.92
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.76
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.76
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.71
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.71
DDO6-HYDROXY-D-NORLEUCINEA,B,C,D1JSL0.72
MLZN-METHYL-LYSINEA,B,I,J2PXJ0.7
MLZN-METHYL-LYSINEA,B,E,F1XQH0.7
MLZN-METHYL-LYSINEA,B,C,D2G460.7
MLZN-METHYL-LYSINED2B2V0.7
MLZN-METHYL-LYSINEA,B3CBM0.7
MLZN-METHYL-LYSINEA,B,C,D2OT70.7
MLZN-METHYL-LYSINEA,B,E,F3F9Y0.7
MLZN-METHYL-LYSINEP1Q3L0.7
MLZN-METHYL-LYSINEA,B,E,F2BQZ0.7
MLZN-METHYL-LYSINEA2RHY0.7
MLZN-METHYL-LYSINEA,B2F690.7
MLZN-METHYL-LYSINEA2R5A0.7
MLZN-METHYL-LYSINEA,B3F700.7
MLZN-METHYL-LYSINEA,B,C2H2J0.7
MLZN-METHYL-LYSINEC,D2H6K0.7
MLZN-METHYL-LYSINEA3EPQ0.7
MLZN-METHYL-LYSINEA,B2QNU0.7
MLZN-METHYL-LYSINEA,B,C,D3HHL0.7
MLZN-METHYL-LYSINEA1IV80.7
MLZN-METHYL-LYSINEA1XER0.7
MLZN-METHYL-LYSINEB,D2H9N0.7
MLZN-METHYL-LYSINEL2R5M0.7
MLZN-METHYL-LYSINEA3E3X0.7
MLZN-METHYL-LYSINEA,B2VYT0.7
MLZN-METHYL-LYSINEA,B,K,L1O9S0.7
MLZN-METHYL-LYSINEA,B,C1P0Y0.7
MLZN-METHYL-LYSINEA,B3CBO0.7
DNED-NORLEUCINEA1R9V0.78
DNED-NORLEUCINEA,B1S4A0.78
DNED-NORLEUCINEA,B1S1O0.78
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.8
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.8
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.8
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.8
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.8
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.7
DILD-ISOLEUCINEA,B2Q330.78
DILD-ISOLEUCINEA1CWZ0.78
DILD-ISOLEUCINEA1CVQ0.78
DILD-ISOLEUCINEA1C4B0.78
DILD-ISOLEUCINEA1CW80.78
DILD-ISOLEUCINEA2AP80.78
IILISO-ISOLEUCINEA,B,C,D1Q4V0.78
IILISO-ISOLEUCINEA1KMF0.78
IILISO-ISOLEUCINEA,B,C1TGG0.78
IILISO-ISOLEUCINEA1RH40.78
ONL5-OXO-L-NORLEUCINEA,B1ECG0.7
ONL5-OXO-L-NORLEUCINEA,B,C,D3DLA0.7
ONL5-OXO-L-NORLEUCINEA,X2Q3Z0.7
ONL5-OXO-L-NORLEUCINEA,B1ECC0.7
ONL5-OXO-L-NORLEUCINEA,B3BRM0.7
ONL5-OXO-L-NORLEUCINEA,B1OFE0.7
ONL5-OXO-L-NORLEUCINEA,B2J6H0.7
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.8
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.8
LME(3R)-3-METHYL-L-GLUTAMIC ACIDA1XT70.7
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.76
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.89
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.89
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.89
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.89
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.89
IMLN-METHYL-ISOLEUCINEC1CWM0.7
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.78
CHGCYCLOHEXYL-GLYCINEH,I4THN0.78
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.78
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.78
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.74
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5N0.7
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5M0.7
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.81
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.78
DLYD-LYSINEA1C4B0.78
DLYD-LYSINEA,B,C,D3BOG0.78
DLYD-LYSINEA1KO00.78
DLYD-LYSINEA,B,C,D3C1P0.78
DLYD-LYSINEA,B,C,H,K,L2R5D0.78
DLYD-LYSINEA,B,C,D2R3C0.78
DLYD-LYSINEA,B,C,H,K,L2R5B0.78
DLYD-LYSINEA,B2Q330.78
DLYD-LYSINEA,B2ATS0.78
DLYD-LYSINEA1RCQ0.78
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.73
NLENORLEUCINEA1MMT0.78
NLENORLEUCINEA,B1JB60.78
NLENORLEUCINEC1K2B0.78
NLENORLEUCINEA,B,C2AVQ0.78
NLENORLEUCINEC,D,I,L1R1L0.78
NLENORLEUCINEE,S2RLN0.78
NLENORLEUCINEE,S1Z3L0.78
NLENORLEUCINEA,B,C2AOD0.78
NLENORLEUCINEA,B,C2J9J0.78
NLENORLEUCINEA,B,I4HVP0.78
NLENORLEUCINEA,B,C2AVM0.78
NLENORLEUCINEB,C1K1T0.78
NLENORLEUCINEA,B,C2AOC0.78
NLENORLEUCINEA,B,C2JE40.78
NLENORLEUCINEA,B,I3DCK0.78
NLENORLEUCINEB1EOL0.78
NLENORLEUCINEA1FF00.78
NLENORLEUCINEA1FG60.78
NLENORLEUCINEA1FGC0.78
NLENORLEUCINEE,S1Z3M0.78
NLENORLEUCINEA2RME0.78
NLENORLEUCINEB1FGL0.78
NLENORLEUCINEC1K1U0.78
NLENORLEUCINEA,B1B7H0.78
NLENORLEUCINEA1HTH0.78
NLENORLEUCINEA,B,D2J9K0.78
NLENORLEUCINEA2RMD0.78
NLENORLEUCINEA,B,C2AOG0.78
NLENORLEUCINEA2RMI0.78
NLENORLEUCINEI1EPO0.78
NLENORLEUCINEA1FFI0.78
NLENORLEUCINEA1HD90.78
NLENORLEUCINEA1FFF0.78
NLENORLEUCINEB2JND0.78
NLENORLEUCINEA1FEJ0.78
NLENORLEUCINEA2K9E0.78
NLENORLEUCINEC1CFN0.78
NLENORLEUCINEC1K2C0.78
NLENORLEUCINEA1WY40.78
NLENORLEUCINEA1FQ80.78
NLENORLEUCINEA,B1S1O0.78
NLENORLEUCINEA2F4K0.78
NLENORLEUCINEA,B1D5E0.78
NLENORLEUCINEA2JX40.78
NLENORLEUCINEA1FG80.78
NLENORLEUCINEA1WY30.78
NLENORLEUCINEI1YTJ0.78
NLENORLEUCINEA,B,I3DCR0.78
NLENORLEUCINEA,I2O400.78
NLENORLEUCINEA,B2GYP0.78
NLENORLEUCINEC,F1A8K0.78
NLENORLEUCINEC1BAI0.78
NLENORLEUCINEA,B2JT90.78
NLENORLEUCINEA2RM90.78
NLENORLEUCINEA,B1DAZ0.78
NLENORLEUCINEA1F3R0.78
NLENORLEUCINEA,I2JXR0.78
NLENORLEUCINEC,F1A940.78
NLENORLEUCINEA,B1S4A0.78
NLENORLEUCINEA1R9V0.78
NLENORLEUCINEA,B,C,D,E,F2Z2T0.78
NVANORVALINEB,C1CA80.7
NVANORVALINEB,C,D1BA80.7
NVANORVALINEA1C9Y0.7
NVANORVALINEA,D2BTE0.7
NVANORVALINEA1OBH0.7
NVANORVALINEE,S1Z3P0.7
NVANORVALINEA1ZNM0.7
NVANORVALINEA1JDX0.7
NVANORVALINEA1FB50.7
NVANORVALINEA1OBC0.7
NVANORVALINE11YYY0.7
NVANORVALINEA,B1B6H0.7
NVANORVALINEA,B1ZZZ0.7
NVANORVALINEA,B,C2I6U0.7
NVANORVALINEB,C1BB00.7
NVANORVALINEE,S1Z3M0.7