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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03098826

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.75
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.75
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.75
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.75
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.75
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.75
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.75
DOA12-AMINO-DODECANOIC ACIDA2DCX0.75
DOA12-AMINO-DODECANOIC ACIDB1EOL0.75
DFI2,2-DIFLUOROSTATINEE,I1APW0.71
SYM2S,4R-4-METHYLGLUTAMATEA,B1SD30.72
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.7
6CL6-CARBOXYLYSINEU2AIZ0.78
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.73
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.74
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.78
API2,6-DIAMINOPIMELIC ACIDA2DAP0.78
API2,6-DIAMINOPIMELIC ACIDE,S148L0.78
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.72
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.83
CHGCYCLOHEXYL-GLYCINEH,I4THN0.83
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.83
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.83
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.79
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.74
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.74
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.74
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.77
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.77
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.77
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.77
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.73
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.73
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.77
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID
A1FQ80.71
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.75
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.75
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.87
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.76
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.76
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.74
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.74
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.74
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.74
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.74
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.74
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.74
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.72
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.74
ACA6-AMINOHEXANOIC ACIDA,B2JT90.74
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.74
ACA6-AMINOHEXANOIC ACIDC1ILP0.74
ACA6-AMINOHEXANOIC ACIDA2PK40.74
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.74
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
1VQ60.74
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.74
ACA6-AMINOHEXANOIC ACIDA1PK20.74
ACA6-AMINOHEXANOIC ACIDA2ZM70.74
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
3CMA0.74
ACA6-AMINOHEXANOIC ACIDC1ILQ0.74
ACA6-AMINOHEXANOIC ACIDA2ZM80.74
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
1VQK0.74
ACA6-AMINOHEXANOIC ACIDA2DCF0.74
ACA6-AMINOHEXANOIC ACIDA1HPK0.74
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
1VQ80.74
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
3CME0.74
ACA6-AMINOHEXANOIC ACIDA2ZM90.74
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
1VQN0.74
ACA6-AMINOHEXANOIC ACIDA2ZMA0.74
ACA6-AMINOHEXANOIC ACIDA3KIV0.74
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
1VQ90.74
DLED-LEUCINEA,B1ALZ0.74
DLED-LEUCINEA,B1BDW0.74
DLED-LEUCINEA,D1CZQ0.74
DLED-LEUCINEA1BFW0.74
DLED-LEUCINEE,F,G,H1XN20.74
DLED-LEUCINEA,B,C,D1GMK0.74
DLED-LEUCINEA,B1TKQ0.74
DLED-LEUCINEA,B,C,H,K,L2R5D0.74
DLED-LEUCINEA2NPV0.74
DLED-LEUCINEA,B,C,D2R3C0.74
DLED-LEUCINEB,D,E1AFQ0.74
DLED-LEUCINEA,B1MIC0.74
DLED-LEUCINEA,B1NRU0.74
DLED-LEUCINEA,B1JNO0.74
DLED-LEUCINEA,B1GRM0.74
DLED-LEUCINEA,B1NRM0.74
DLED-LEUCINEA,D2Q3I0.74
DLED-LEUCINEA,B1NT50.74
DLED-LEUCINEA2JUE0.74
DLED-LEUCINEA,B,C,D1AV20.74
DLED-LEUCINEA1YY20.74
DLED-LEUCINEA,B1AL40.74
DLED-LEUCINEA,B1NG80.74
DLED-LEUCINEA,B1ALX0.74
DLED-LEUCINEA,B1JO40.74
DLED-LEUCINEA,B,C,H,K,L2R5B0.74
DLED-LEUCINEA,B1MAG0.74
DLED-LEUCINEA,B1NT60.74
DLED-LEUCINEA,B2Q330.74
DLED-LEUCINEA,B1JO30.74
DLED-LEUCINEE,I1BLL0.74
DLED-LEUCINEA,B1KQE0.74
DLED-LEUCINEA,B,C,D1W5U0.74
DLED-LEUCINEA,B,C,D2IZQ0.74
DLED-LEUCINEA1C4B0.74
DLED-LEUCINEA,B,C,D1C4D0.74
NPI2-AMINOPIMELIC ACIDA2TDT0.79
NPI2-AMINOPIMELIC ACIDA1KGQ0.79
STASTATINEE1EPP0.75
STASTATINEI1XN30.75
STASTATINEA,B,I,J2FIV0.75
STASTATINEA,B,C,D1QS80.75
STASTATINEA,B2RMP0.75
STASTATINEE,I1APU0.75
STASTATINEA,I1GVU0.75
STASTATINEI3ER50.75
STASTATINEI2ER90.75
STASTATINEE,I4ER20.75
STASTATINEA,C,I,J,K2B7F0.75
STASTATINEA,B,C5HVP0.75
STASTATINEA,I1GVV0.75
STASTATINEA,I1WKR0.75
STASTATINEI5APR0.75
STASTATINEI1PSO0.75
STASTATINEI6APR0.75
STASTATINEA1FQ50.75
STASTATINEA,I3FNT0.75
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.75
STASTATINEA,B,C,D,I,J1LYB0.75
STASTATINEB1FIV0.75
STASTATINEI4APR0.75
LME(3R)-3-METHYL-L-GLUTAMIC ACIDA1XT70.72
MKE(4S)-4-AMINO-5-OXOHEXANOIC ACIDA,I2HAL0.7
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.78
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.78
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.78
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.78
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.78
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.76
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.76
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.81
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.81
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.81
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.81
NLENORLEUCINEA1MMT0.74
NLENORLEUCINEA,B1JB60.74
NLENORLEUCINEC1K2B0.74
NLENORLEUCINEA,B,C2AVQ0.74
NLENORLEUCINEC,D,I,L1R1L0.74
NLENORLEUCINEE,S2RLN0.74
NLENORLEUCINEE,S1Z3L0.74
NLENORLEUCINEA,B,C2AOD0.74
NLENORLEUCINEA,B,C2J9J0.74
NLENORLEUCINEA,B,I4HVP0.74
NLENORLEUCINEA,B,C2AVM0.74
NLENORLEUCINEB,C1K1T0.74
NLENORLEUCINEA,B,C2AOC0.74
NLENORLEUCINEA,B,C2JE40.74
NLENORLEUCINEA,B,I3DCK0.74
NLENORLEUCINEB1EOL0.74
NLENORLEUCINEA1FF00.74
NLENORLEUCINEA1FG60.74
NLENORLEUCINEA1FGC0.74
NLENORLEUCINEE,S1Z3M0.74
NLENORLEUCINEA2RME0.74
NLENORLEUCINEB1FGL0.74
NLENORLEUCINEC1K1U0.74
NLENORLEUCINEA,B1B7H0.74
NLENORLEUCINEA1HTH0.74
NLENORLEUCINEA,B,D2J9K0.74
NLENORLEUCINEA2RMD0.74
NLENORLEUCINEA,B,C2AOG0.74
NLENORLEUCINEA2RMI0.74
NLENORLEUCINEI1EPO0.74
NLENORLEUCINEA1FFI0.74
NLENORLEUCINEA1HD90.74
NLENORLEUCINEA1FFF0.74
NLENORLEUCINEB2JND0.74
NLENORLEUCINEA1FEJ0.74
NLENORLEUCINEA2K9E0.74
NLENORLEUCINEC1CFN0.74
NLENORLEUCINEC1K2C0.74
NLENORLEUCINEA1WY40.74
NLENORLEUCINEA1FQ80.74
NLENORLEUCINEA,B1S1O0.74
NLENORLEUCINEA2F4K0.74
NLENORLEUCINEA,B1D5E0.74
NLENORLEUCINEA2JX40.74
NLENORLEUCINEA1FG80.74
NLENORLEUCINEA1WY30.74
NLENORLEUCINEI1YTJ0.74
NLENORLEUCINEA,B,I3DCR0.74
NLENORLEUCINEA,I2O400.74
NLENORLEUCINEA,B2GYP0.74
NLENORLEUCINEC,F1A8K0.74
NLENORLEUCINEC1BAI0.74
NLENORLEUCINEA,B2JT90.74
NLENORLEUCINEA2RM90.74
NLENORLEUCINEA,B1DAZ0.74
NLENORLEUCINEA1F3R0.74
NLENORLEUCINEA,I2JXR0.74
NLENORLEUCINEC,F1A940.74
NLENORLEUCINEA,B1S4A0.74
NLENORLEUCINEA1R9V0.74
NLENORLEUCINEA,B,C,D,E,F2Z2T0.74
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.71
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.74
DLYD-LYSINEA1C4B0.74
DLYD-LYSINEA,B,C,D3BOG0.74
DLYD-LYSINEA1KO00.74
DLYD-LYSINEA,B,C,D3C1P0.74
DLYD-LYSINEA,B,C,H,K,L2R5D0.74
DLYD-LYSINEA,B,C,D2R3C0.74
DLYD-LYSINEA,B,C,H,K,L2R5B0.74
DLYD-LYSINEA,B2Q330.74
DLYD-LYSINEA,B2ATS0.74
DLYD-LYSINEA1RCQ0.74
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.77
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HOZ0.71
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP20.71
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP10.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.82
DFO2,2-DIFLUORO-3-HYDROSTATINEE,I1APV0.75
2CG(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-
1,2-dicarboxylic acid
A,B2E4V0.71
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.75
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.75
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.75
0PAcyclopentylacetic acidA,B3DWR0.72
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.83
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.83
ZAL3-cyclohexyl-D-alanineI1HBT0.82
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5N0.72
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5M0.72
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.75
DILD-ISOLEUCINEA,B2Q330.74
DILD-ISOLEUCINEA1CWZ0.74
DILD-ISOLEUCINEA1CVQ0.74
DILD-ISOLEUCINEA1C4B0.74
DILD-ISOLEUCINEA1CW80.74
DILD-ISOLEUCINEA2AP80.74
IILISO-ISOLEUCINEA,B,C,D1Q4V0.74
IILISO-ISOLEUCINEA1KMF0.74
IILISO-ISOLEUCINEA,B,C1TGG0.74
IILISO-ISOLEUCINEA1RH40.74
DNED-NORLEUCINEA1R9V0.74
DNED-NORLEUCINEA,B1S4A0.74
DNED-NORLEUCINEA,B1S1O0.74
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.88
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.88
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.88
C5B(1S,3R)-1-AMINOCYCLOPENTANE-1,3-
DICARBOXYLIC ACID
A,B2E4X0.71
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.78
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.71
C5A(1S,3S)-1-aminocyclopentane-1,3-
dicarboxylic acid
A,B2E4W0.71
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.78