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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016675

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
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.9
CHGCYCLOHEXYL-GLYCINEH,I4THN0.9
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.9
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.9
6CL6-CARBOXYLYSINEU2AIZ0.78
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.73
AHHAMINO-HYDROXYHEPTANOIC ACIDA,I3MAT0.72
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVQ0.72
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
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
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.73
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID		A1FQ80.71
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.81
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.75
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.75
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
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.89
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.89
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
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.84
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.84
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.84
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.84
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.84
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,C3HEZ0.87
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.87
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.87
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.87
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		A1FQ70.71
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I4ER10.71
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I3ER30.71
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
ZAL3-cyclohexyl-D-alanineI1HBT0.88
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
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.72
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.88
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
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.75
NORCYCLOHEXYL-NORSTATINEP1CZI0.75
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.75
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID		A1FQ40.7
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.76
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.76
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
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.71
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.84
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.84
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.84
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.84
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.84
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.71