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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03706851

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DO22-AMINO-6-OXO-HEXANOIC ACIDA,B1DJP0.71
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.81
NORCYCLOHEXYL-NORSTATINEP1CZI0.81
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.81
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.7
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
LYZ5-HYDROXYLYSINEA,B,C,D1QGW0.74
LYZ5-HYDROXYLYSINEA,B,C,D1XG00.74
LYZ5-HYDROXYLYSINEA,B,C,D1XF60.74
LYZ5-HYDROXYLYSINEA,B,C1YGV0.74
LYZ5-HYDROXYLYSINEA,B,C1Y0F0.74
AHHAMINO-HYDROXYHEPTANOIC ACIDA,I3MAT1
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.8
42B4-AMINO-2-HYDROXYBUTANOIC ACIDB1O9M0.72
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.7
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.7
DOA12-AMINO-DODECANOIC ACIDA2DCX0.7
DOA12-AMINO-DODECANOIC ACIDB1EOL0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.7
LDO6-HYDROXY-L-NORLEUCINEA,B,C,D1JSR0.75
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.73
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.73
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.75
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.75
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.75
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.7
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.75
API2,6-DIAMINOPIMELIC ACIDA2DAP0.75
API2,6-DIAMINOPIMELIC ACIDE,S148L0.75
6CL6-CARBOXYLYSINEU2AIZ0.75
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.78
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.78
EKE(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACIDA,I2HAL0.75
KAH5-AMINO-4-HYDROXYHEXANOIC ACIDA1H7P0.77
STASTATINEE1EPP0.73
STASTATINEI1XN30.73
STASTATINEA,B,I,J2FIV0.73
STASTATINEA,B,C,D1QS80.73
STASTATINEA,B2RMP0.73
STASTATINEE,I1APU0.73
STASTATINEA,I1GVU0.73
STASTATINEI3ER50.73
STASTATINEI2ER90.73
STASTATINEE,I4ER20.73
STASTATINEA,C,I,J,K2B7F0.73
STASTATINEA,B,C5HVP0.73
STASTATINEA,I1GVV0.73
STASTATINEA,I1WKR0.73
STASTATINEI5APR0.73
STASTATINEI1PSO0.73
STASTATINEI6APR0.73
STASTATINEA1FQ50.73
STASTATINEA,I3FNT0.73
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.73
STASTATINEA,B,C,D,I,J1LYB0.73
STASTATINEB1FIV0.73
STASTATINEI4APR0.73
ONL5-OXO-L-NORLEUCINEA,B1ECG0.7
ONL5-OXO-L-NORLEUCINEA,B,C,D3DLA0.7
ONL5-OXO-L-NORLEUCINEA,X2Q3Z0.7
ONL5-OXO-L-NORLEUCINEA,B1ECC0.7
ONL5-OXO-L-NORLEUCINEA,B3BRM0.7
ONL5-OXO-L-NORLEUCINEA,B1OFE0.7
ONL5-OXO-L-NORLEUCINEA,B2J6H0.7
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.95
NLENORLEUCINEA1MMT0.75
NLENORLEUCINEA,B1JB60.75
NLENORLEUCINEC1K2B0.75
NLENORLEUCINEA,B,C2AVQ0.75
NLENORLEUCINEC,D,I,L1R1L0.75
NLENORLEUCINEE,S2RLN0.75
NLENORLEUCINEE,S1Z3L0.75
NLENORLEUCINEA,B,C2AOD0.75
NLENORLEUCINEA,B,C2J9J0.75
NLENORLEUCINEA,B,I4HVP0.75
NLENORLEUCINEA,B,C2AVM0.75
NLENORLEUCINEB,C1K1T0.75
NLENORLEUCINEA,B,C2AOC0.75
NLENORLEUCINEA,B,C2JE40.75
NLENORLEUCINEA,B,I3DCK0.75
NLENORLEUCINEB1EOL0.75
NLENORLEUCINEA1FF00.75
NLENORLEUCINEA1FG60.75
NLENORLEUCINEA1FGC0.75
NLENORLEUCINEE,S1Z3M0.75
NLENORLEUCINEA2RME0.75
NLENORLEUCINEB1FGL0.75
NLENORLEUCINEC1K1U0.75
NLENORLEUCINEA,B1B7H0.75
NLENORLEUCINEA1HTH0.75
NLENORLEUCINEA,B,D2J9K0.75
NLENORLEUCINEA2RMD0.75
NLENORLEUCINEA,B,C2AOG0.75
NLENORLEUCINEA2RMI0.75
NLENORLEUCINEI1EPO0.75
NLENORLEUCINEA1FFI0.75
NLENORLEUCINEA1HD90.75
NLENORLEUCINEA1FFF0.75
NLENORLEUCINEB2JND0.75
NLENORLEUCINEA1FEJ0.75
NLENORLEUCINEA2K9E0.75
NLENORLEUCINEC1CFN0.75
NLENORLEUCINEC1K2C0.75
NLENORLEUCINEA1WY40.75
NLENORLEUCINEA1FQ80.75
NLENORLEUCINEA,B1S1O0.75
NLENORLEUCINEA2F4K0.75
NLENORLEUCINEA,B1D5E0.75
NLENORLEUCINEA2JX40.75
NLENORLEUCINEA1FG80.75
NLENORLEUCINEA1WY30.75
NLENORLEUCINEI1YTJ0.75
NLENORLEUCINEA,B,I3DCR0.75
NLENORLEUCINEA,I2O400.75
NLENORLEUCINEA,B2GYP0.75
NLENORLEUCINEC,F1A8K0.75
NLENORLEUCINEC1BAI0.75
NLENORLEUCINEA,B2JT90.75
NLENORLEUCINEA2RM90.75
NLENORLEUCINEA,B1DAZ0.75
NLENORLEUCINEA1F3R0.75
NLENORLEUCINEA,I2JXR0.75
NLENORLEUCINEC,F1A940.75
NLENORLEUCINEA,B1S4A0.75
NLENORLEUCINEA1R9V0.75
NLENORLEUCINEA,B,C,D,E,F2Z2T0.75
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.73
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.79
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
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.7
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.7
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.7
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.7
DNED-NORLEUCINEA1R9V0.75
DNED-NORLEUCINEA,B1S4A0.75
DNED-NORLEUCINEA,B1S1O0.75
DDO6-HYDROXY-D-NORLEUCINEA,B,C,D1JSL0.75
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.71
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.71
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
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.7
LTA4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTERE,I1APT0.75