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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03250541

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1E800.82
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1EED0.82
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I2ER00.82
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
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.91
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.91
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAG0.71
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAF0.71
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA,B,C,D3FMF0.71
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAI0.71
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDB,C3BV90.73
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDA1BDK0.73
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.7
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.76
NORCYCLOHEXYL-NORSTATINEP1CZI0.76
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.76
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE		C1CWK0.74
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.72
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.71
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.72
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.72
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.72
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.72
NPI2-AMINOPIMELIC ACIDA2TDT0.78
NPI2-AMINOPIMELIC ACIDA1KGQ0.78
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.84
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.84
DOA12-AMINO-DODECANOIC ACIDA2DCX0.84
DOA12-AMINO-DODECANOIC ACIDB1EOL0.84
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		A1FQ70.77
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I4ER10.77
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I3ER30.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.96
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.96
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
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.76
ACA6-AMINOHEXANOIC ACIDA,B2JT90.73
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.73
ACA6-AMINOHEXANOIC ACIDC1ILP0.73
ACA6-AMINOHEXANOIC ACIDA2PK40.73
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.73
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		1VQ60.73
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.73
ACA6-AMINOHEXANOIC ACIDA1PK20.73
ACA6-AMINOHEXANOIC ACIDA2ZM70.73
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		3CMA0.73
ACA6-AMINOHEXANOIC ACIDC1ILQ0.73
ACA6-AMINOHEXANOIC ACIDA2ZM80.73
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		1VQK0.73
ACA6-AMINOHEXANOIC ACIDA2DCF0.73
ACA6-AMINOHEXANOIC ACIDA1HPK0.73
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		1VQ80.73
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		3CME0.73
ACA6-AMINOHEXANOIC ACIDA2ZM90.73
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		1VQN0.73
ACA6-AMINOHEXANOIC ACIDA2ZMA0.73
ACA6-AMINOHEXANOIC ACIDA3KIV0.73
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		1VQ90.73
ZAL3-cyclohexyl-D-alanineI1HBT0.96
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.88
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.82
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
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
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1OEX0.76
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B,I8HVP0.76
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1GKT0.76
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		E,I2ER70.76
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID		A1FQ40.76
DFO2,2-DIFLUORO-3-HYDROSTATINEE,I1APV0.71
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.77
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.7
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.74
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.81
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.81
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1HRN0.75
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA1EAG0.75
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1BIM0.75
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1BIL0.75
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.83
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.71
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.7
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.8
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.81
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.81
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.81
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.81
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.81
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.78
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
6CL6-CARBOXYLYSINEU2AIZ0.76
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.76
API2,6-DIAMINOPIMELIC ACIDA2DAP0.76
API2,6-DIAMINOPIMELIC ACIDE,S148L0.76
DNED-NORLEUCINEA1R9V0.72
DNED-NORLEUCINEA,B1S4A0.72
DNED-NORLEUCINEA,B1S1O0.72
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.8
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.8
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.8
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
STASTATINEE1EPP0.74
STASTATINEI1XN30.74
STASTATINEA,B,I,J2FIV0.74
STASTATINEA,B,C,D1QS80.74
STASTATINEA,B2RMP0.74
STASTATINEE,I1APU0.74
STASTATINEA,I1GVU0.74
STASTATINEI3ER50.74
STASTATINEI2ER90.74
STASTATINEE,I4ER20.74
STASTATINEA,C,I,J,K2B7F0.74
STASTATINEA,B,C5HVP0.74
STASTATINEA,I1GVV0.74
STASTATINEA,I1WKR0.74
STASTATINEI5APR0.74
STASTATINEI1PSO0.74
STASTATINEI6APR0.74
STASTATINEA1FQ50.74
STASTATINEA,I3FNT0.74
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.74
STASTATINEA,B,C,D,I,J1LYB0.74
STASTATINEB1FIV0.74
STASTATINEI4APR0.74
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVQ0.79
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.95
CHGCYCLOHEXYL-GLYCINEH,I4THN0.95
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.95
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.95
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
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.73
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.76
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		A,B,I1HIV0.71
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVP0.71
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.72
DLYD-LYSINEA1C4B0.72
DLYD-LYSINEA,B,C,D3BOG0.72
DLYD-LYSINEA1KO00.72
DLYD-LYSINEA,B,C,D3C1P0.72
DLYD-LYSINEA,B,C,H,K,L2R5D0.72
DLYD-LYSINEA,B,C,D2R3C0.72
DLYD-LYSINEA,B,C,H,K,L2R5B0.72
DLYD-LYSINEA,B2Q330.72
DLYD-LYSINEA,B2ATS0.72
DLYD-LYSINEA1RCQ0.72
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.81
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.81
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.81
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.81
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.81
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.81
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.81
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.8
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID		A1FQ80.77
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.71
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.83
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.83
NC77-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACIDA1ZD50.73