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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01797792

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
DFI2,2-DIFLUOROSTATINEE,I1APW0.71
SYM2S,4R-4-METHYLGLUTAMATEA,B1SD30.72
6CL6-CARBOXYLYSINEU2AIZ0.78
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.73
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
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.73
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.73
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.73
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.75
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.75
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.87
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID
A1FQ80.76
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
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
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
STASTATINEE1EPP0.75
STASTATINEI1XN30.75
STASTATINEA,B,I,J2FIV0.75
STASTATINEA,B,C,D1QS80.75
STASTATINEA,B2RMP0.75
STASTATINEE,I1APU0.75
STASTATINEA,I1GVU0.75
STASTATINEI3ER50.75
STASTATINEI2ER90.75
STASTATINEE,I4ER20.75
STASTATINEA,C,I,J,K2B7F0.75
STASTATINEA,B,C5HVP0.75
STASTATINEA,I1GVV0.75
STASTATINEA,I1WKR0.75
STASTATINEI5APR0.75
STASTATINEI1PSO0.75
STASTATINEI6APR0.75
STASTATINEA1FQ50.75
STASTATINEA,I3FNT0.75
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.75
STASTATINEA,B,C,D,I,J1LYB0.75
STASTATINEB1FIV0.75
STASTATINEI4APR0.75
LME(3R)-3-METHYL-L-GLUTAMIC ACIDA1XT70.72
MKE(4S)-4-AMINO-5-OXOHEXANOIC ACIDA,I2HAL0.7
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.78
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.78
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.78
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.78
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.78
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,C3HEZ0.81
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.81
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.81
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.81
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
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.7
NORCYCLOHEXYL-NORSTATINEP1CZI0.7
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.7
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.77
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HOZ0.71
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP20.71
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP10.71
ZAL3-cyclohexyl-D-alanineI1HBT0.88
DFO2,2-DIFLUORO-3-HYDROSTATINEE,I1APV0.75
2CG(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-
1,2-dicarboxylic acid
A,B2E4V0.71
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
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5N0.72
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5M0.72
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
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.79
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.79
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.79
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.79
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.79
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.79
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.79
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.83
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.83
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.83
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.83
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID
A1FQ40.7
DNED-NORLEUCINEA1R9V0.74
DNED-NORLEUCINEA,B1S4A0.74
DNED-NORLEUCINEA,B1S1O0.74
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.71
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.78
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.71
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.78
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.81
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.81
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.81