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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03186165

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 acidA3C3H0.76
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.76
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.76
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.76
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.76
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.83
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.83
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.71
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.75
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.75
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.75
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.75
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.75
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.75
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.75
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.71
NORCYCLOHEXYL-NORSTATINEP1CZI0.71
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.71
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.72
ZAL3-cyclohexyl-D-alanineI1HBT0.86
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE		C1CWK0.73
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.79
DLED-LEUCINEA,B1ALZ0.72
DLED-LEUCINEA,B1BDW0.72
DLED-LEUCINEA,D1CZQ0.72
DLED-LEUCINEA1BFW0.72
DLED-LEUCINEE,F,G,H1XN20.72
DLED-LEUCINEA,B,C,D1GMK0.72
DLED-LEUCINEA,B1TKQ0.72
DLED-LEUCINEA,B,C,H,K,L2R5D0.72
DLED-LEUCINEA2NPV0.72
DLED-LEUCINEA,B,C,D2R3C0.72
DLED-LEUCINEB,D,E1AFQ0.72
DLED-LEUCINEA,B1MIC0.72
DLED-LEUCINEA,B1NRU0.72
DLED-LEUCINEA,B1JNO0.72
DLED-LEUCINEA,B1GRM0.72
DLED-LEUCINEA,B1NRM0.72
DLED-LEUCINEA,D2Q3I0.72
DLED-LEUCINEA,B1NT50.72
DLED-LEUCINEA2JUE0.72
DLED-LEUCINEA,B,C,D1AV20.72
DLED-LEUCINEA1YY20.72
DLED-LEUCINEA,B1AL40.72
DLED-LEUCINEA,B1NG80.72
DLED-LEUCINEA,B1ALX0.72
DLED-LEUCINEA,B1JO40.72
DLED-LEUCINEA,B,C,H,K,L2R5B0.72
DLED-LEUCINEA,B1MAG0.72
DLED-LEUCINEA,B1NT60.72
DLED-LEUCINEA,B2Q330.72
DLED-LEUCINEA,B1JO30.72
DLED-LEUCINEE,I1BLL0.72
DLED-LEUCINEA,B1KQE0.72
DLED-LEUCINEA,B,C,D1W5U0.72
DLED-LEUCINEA,B,C,D2IZQ0.72
DLED-LEUCINEA1C4B0.72
DLED-LEUCINEA,B,C,D1C4D0.72
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		A1FQ70.75
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I4ER10.75
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I3ER30.75
ACA6-AMINOHEXANOIC ACIDA,B2JT90.75
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.75
ACA6-AMINOHEXANOIC ACIDC1ILP0.75
ACA6-AMINOHEXANOIC ACIDA2PK40.75
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.75
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		1VQ60.75
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.75
ACA6-AMINOHEXANOIC ACIDA1PK20.75
ACA6-AMINOHEXANOIC ACIDA2ZM70.75
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		3CMA0.75
ACA6-AMINOHEXANOIC ACIDC1ILQ0.75
ACA6-AMINOHEXANOIC ACIDA2ZM80.75
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		1VQK0.75
ACA6-AMINOHEXANOIC ACIDA2DCF0.75
ACA6-AMINOHEXANOIC ACIDA1HPK0.75
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		1VQ80.75
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		3CME0.75
ACA6-AMINOHEXANOIC ACIDA2ZM90.75
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		1VQN0.75
ACA6-AMINOHEXANOIC ACIDA2ZMA0.75
ACA6-AMINOHEXANOIC ACIDA3KIV0.75
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		1VQ90.75
STASTATINEE1EPP0.76
STASTATINEI1XN30.76
STASTATINEA,B,I,J2FIV0.76
STASTATINEA,B,C,D1QS80.76
STASTATINEA,B2RMP0.76
STASTATINEE,I1APU0.76
STASTATINEA,I1GVU0.76
STASTATINEI3ER50.76
STASTATINEI2ER90.76
STASTATINEE,I4ER20.76
STASTATINEA,C,I,J,K2B7F0.76
STASTATINEA,B,C5HVP0.76
STASTATINEA,I1GVV0.76
STASTATINEA,I1WKR0.76
STASTATINEI5APR0.76
STASTATINEI1PSO0.76
STASTATINEI6APR0.76
STASTATINEA1FQ50.76
STASTATINEA,I3FNT0.76
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.76
STASTATINEA,B,C,D,I,J1LYB0.76
STASTATINEB1FIV0.76
STASTATINEI4APR0.76
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.86
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.86
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.78
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.85
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.85
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.85
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.85
NPI2-AMINOPIMELIC ACIDA2TDT0.74
NPI2-AMINOPIMELIC ACIDA1KGQ0.74
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID		A1FQ40.71
6CL6-CARBOXYLYSINEU2AIZ0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.76
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.76
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.76
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.76
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.76
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.73
API2,6-DIAMINOPIMELIC ACIDA2DAP0.73
API2,6-DIAMINOPIMELIC ACIDE,S148L0.73
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1E800.76
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1EED0.76
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I2ER00.76
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.7
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.81
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.81
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.81
DFI2,2-DIFLUOROSTATINEE,I1APW0.7
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.71
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.85
CHGCYCLOHEXYL-GLYCINEH,I4THN0.85
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.85
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.85
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAG0.7
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAF0.7
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA,B,C,D3FMF0.7
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAI0.7
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.73
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVQ0.76
DILD-ISOLEUCINEA,B2Q330.72
DILD-ISOLEUCINEA1CWZ0.72
DILD-ISOLEUCINEA1CVQ0.72
DILD-ISOLEUCINEA1C4B0.72
DILD-ISOLEUCINEA1CW80.72
DILD-ISOLEUCINEA2AP80.72
IILISO-ISOLEUCINEA,B,C,D1Q4V0.72
IILISO-ISOLEUCINEA1KMF0.72
IILISO-ISOLEUCINEA,B,C1TGG0.72
IILISO-ISOLEUCINEA1RH40.72
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.7
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.77
DNED-NORLEUCINEA1R9V0.72
DNED-NORLEUCINEA,B1S4A0.72
DNED-NORLEUCINEA,B1S1O0.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.79
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.79
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.79
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.79
DFO2,2-DIFLUORO-3-HYDROSTATINEE,I1APV0.73
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.88
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.88
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.83
NLENORLEUCINEA1MMT0.72
NLENORLEUCINEA,B1JB60.72
NLENORLEUCINEC1K2B0.72
NLENORLEUCINEA,B,C2AVQ0.72
NLENORLEUCINEC,D,I,L1R1L0.72
NLENORLEUCINEE,S2RLN0.72
NLENORLEUCINEE,S1Z3L0.72
NLENORLEUCINEA,B,C2AOD0.72
NLENORLEUCINEA,B,C2J9J0.72
NLENORLEUCINEA,B,I4HVP0.72
NLENORLEUCINEA,B,C2AVM0.72
NLENORLEUCINEB,C1K1T0.72
NLENORLEUCINEA,B,C2AOC0.72
NLENORLEUCINEA,B,C2JE40.72
NLENORLEUCINEA,B,I3DCK0.72
NLENORLEUCINEB1EOL0.72
NLENORLEUCINEA1FF00.72
NLENORLEUCINEA1FG60.72
NLENORLEUCINEA1FGC0.72
NLENORLEUCINEE,S1Z3M0.72
NLENORLEUCINEA2RME0.72
NLENORLEUCINEB1FGL0.72
NLENORLEUCINEC1K1U0.72
NLENORLEUCINEA,B1B7H0.72
NLENORLEUCINEA1HTH0.72
NLENORLEUCINEA,B,D2J9K0.72
NLENORLEUCINEA2RMD0.72
NLENORLEUCINEA,B,C2AOG0.72
NLENORLEUCINEA2RMI0.72
NLENORLEUCINEI1EPO0.72
NLENORLEUCINEA1FFI0.72
NLENORLEUCINEA1HD90.72
NLENORLEUCINEA1FFF0.72
NLENORLEUCINEB2JND0.72
NLENORLEUCINEA1FEJ0.72
NLENORLEUCINEA2K9E0.72
NLENORLEUCINEC1CFN0.72
NLENORLEUCINEC1K2C0.72
NLENORLEUCINEA1WY40.72
NLENORLEUCINEA1FQ80.72
NLENORLEUCINEA,B1S1O0.72
NLENORLEUCINEA2F4K0.72
NLENORLEUCINEA,B1D5E0.72
NLENORLEUCINEA2JX40.72
NLENORLEUCINEA1FG80.72
NLENORLEUCINEA1WY30.72
NLENORLEUCINEI1YTJ0.72
NLENORLEUCINEA,B,I3DCR0.72
NLENORLEUCINEA,I2O400.72
NLENORLEUCINEA,B2GYP0.72
NLENORLEUCINEC,F1A8K0.72
NLENORLEUCINEC1BAI0.72
NLENORLEUCINEA,B2JT90.72
NLENORLEUCINEA2RM90.72
NLENORLEUCINEA,B1DAZ0.72
NLENORLEUCINEA1F3R0.72
NLENORLEUCINEA,I2JXR0.72
NLENORLEUCINEC,F1A940.72
NLENORLEUCINEA,B1S4A0.72
NLENORLEUCINEA1R9V0.72
NLENORLEUCINEA,B,C,D,E,F2Z2T0.72
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.76
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W3M0.77
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.87
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.87
DOA12-AMINO-DODECANOIC ACIDA2DCX0.87
DOA12-AMINO-DODECANOIC ACIDB1EOL0.87
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1OEX0.78
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B,I8HVP0.78
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1GKT0.78
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		E,I2ER70.78
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.76
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.76
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.76
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.82
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.82
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.83
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.83
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.83
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID		A1FQ80.72
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.91
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.85
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.7