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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03098715

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.9
CHGCYCLOHEXYL-GLYCINEH,I4THN0.9
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.9
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.9
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.89
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.89
ZAL3-cyclohexyl-D-alanineI1HBT0.88
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
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
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
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
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
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.81
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.79
NPI2-AMINOPIMELIC ACIDA2TDT0.79
NPI2-AMINOPIMELIC ACIDA1KGQ0.79
6CL6-CARBOXYLYSINEU2AIZ0.78
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.78
API2,6-DIAMINOPIMELIC ACIDA2DAP0.78
API2,6-DIAMINOPIMELIC ACIDE,S148L0.78
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
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.77
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
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
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.76
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.76
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
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.75
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.75
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
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.75
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.75
NORCYCLOHEXYL-NORSTATINEP1CZI0.75
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.75
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.74
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.74
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.74
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.74
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
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
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
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
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
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.73
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.73
AHHAMINO-HYDROXYHEPTANOIC ACIDA,I3MAT0.72
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVQ0.72
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.72
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.72
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.72
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID		A1FQ80.71
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
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.71
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.71
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.71
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID		A1FQ40.7