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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013811

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.7
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.7
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.83
CHGCYCLOHEXYL-GLYCINEH,I4THN0.83
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.83
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.83
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
A1FQ70.72
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I4ER10.72
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I3ER30.72
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.72
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.75
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.75
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.75
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.75
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.7
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.7
DOA12-AMINO-DODECANOIC ACIDA2DCX0.7
DOA12-AMINO-DODECANOIC ACIDB1EOL0.7
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.73
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.7
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.75
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.75
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.75
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.75
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.71
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.71
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.72
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.72
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.72
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.72
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.71
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.71
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.82
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.82
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.73
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.73
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.73
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.83
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.83
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.72
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.72
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.72
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.72
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.72
ZAL3-cyclohexyl-D-alanineI1HBT0.82
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.73
NORCYCLOHEXYL-NORSTATINEP1CZI0.73
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.73
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.78
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
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
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.75
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