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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02427232

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.73
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.73
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.73
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.73
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.73
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.73
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.73
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.71
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.71
6CL6-CARBOXYLYSINEU2AIZ0.7
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.7
API2,6-DIAMINOPIMELIC ACIDA2DAP0.7
API2,6-DIAMINOPIMELIC ACIDE,S148L0.7
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.73
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.73
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.73
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.81
CHGCYCLOHEXYL-GLYCINEH,I4THN0.81
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.81
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.81
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.79
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.74
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.74
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.74
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.7
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.7
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.7
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.7
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.7
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.76
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.76
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.76
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.76
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.8
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.8
NPI2-AMINOPIMELIC ACIDA2TDT0.71
NPI2-AMINOPIMELIC ACIDA1KGQ0.71
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.81
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.81
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID
A1FQ80.7
ZAL3-cyclohexyl-D-alanineI1HBT0.8
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.7
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.7