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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865209

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.85
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.85
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.78
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.78
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.78
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.78
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.71
NORCYCLOHEXYL-NORSTATINEP1CZI0.71
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.71
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.73
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.73
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.73
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.73
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.73
NPI2-AMINOPIMELIC ACIDA2TDT0.77
NPI2-AMINOPIMELIC ACIDA1KGQ0.77
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
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE		C1CWK0.73
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.79
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.81
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
STASTATINEE1EPP0.81
STASTATINEI1XN30.81
STASTATINEA,B,I,J2FIV0.81
STASTATINEA,B,C,D1QS80.81
STASTATINEA,B2RMP0.81
STASTATINEE,I1APU0.81
STASTATINEA,I1GVU0.81
STASTATINEI3ER50.81
STASTATINEI2ER90.81
STASTATINEE,I4ER20.81
STASTATINEA,C,I,J,K2B7F0.81
STASTATINEA,B,C5HVP0.81
STASTATINEA,I1GVV0.81
STASTATINEA,I1WKR0.81
STASTATINEI5APR0.81
STASTATINEI1PSO0.81
STASTATINEI6APR0.81
STASTATINEA1FQ50.81
STASTATINEA,I3FNT0.81
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.81
STASTATINEA,B,C,D,I,J1LYB0.81
STASTATINEB1FIV0.81
STASTATINEI4APR0.81
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.85
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVQ0.75
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.85
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.85
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		A,B,I1HIV0.7
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVP0.7
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.73
ZAL3-cyclohexyl-D-alanineI1HBT0.85
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1E800.81
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1EED0.81
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I2ER00.81
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.75
API2,6-DIAMINOPIMELIC ACIDA2DAP0.75
API2,6-DIAMINOPIMELIC ACIDE,S148L0.75
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID		A1FQ40.71
6CL6-CARBOXYLYSINEU2AIZ0.75
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W3M0.71
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.77
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		A1FQ70.74
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I4ER10.74
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I3ER30.74
SYM2S,4R-4-METHYLGLUTAMATEA,B1SD30.73
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.76
DFO2,2-DIFLUORO-3-HYDROSTATINEE,I1APV0.81
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.84
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.84
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.84
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.84
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.7
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
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.83
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.83
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.83
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.83
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.83
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.83
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.83
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.7
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.82
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.77
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.84
CHGCYCLOHEXYL-GLYCINEH,I4THN0.84
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.84
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.84
DNED-NORLEUCINEA1R9V0.72
DNED-NORLEUCINEA,B1S4A0.72
DNED-NORLEUCINEA,B1S1O0.72
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.75
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAG0.72
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAF0.72
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA,B,C,D3FMF0.72
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAI0.72
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5N0.73
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5M0.73
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.85
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.85
DAA8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDEA1BS10.7
DFI2,2-DIFLUOROSTATINEE,I1APW0.75
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
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.8
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.8
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.8
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.75
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.75
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.75
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.75
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.75
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.76
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1OEX0.77
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B,I8HVP0.77
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1GKT0.77
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		E,I2ER70.77
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
LTA4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTERE,I1APT0.73
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID		A1FQ80.77
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.79
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.79
DOA12-AMINO-DODECANOIC ACIDA2DCX0.79
DOA12-AMINO-DODECANOIC ACIDB1EOL0.79
LME(3R)-3-METHYL-L-GLUTAMIC ACIDA1XT70.73
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE1
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.71
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.8
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.8