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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02307077

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.78
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.78
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
A1FQ70.7
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I4ER10.7
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I3ER30.7
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.7
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.7
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.7
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.7
NPI2-AMINOPIMELIC ACIDA2TDT0.72
NPI2-AMINOPIMELIC ACIDA1KGQ0.72
6CL6-CARBOXYLYSINEU2AIZ0.7
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.7
API2,6-DIAMINOPIMELIC ACIDA2DAP0.7
API2,6-DIAMINOPIMELIC ACIDE,S148L0.7
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.72
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.88
CHGCYCLOHEXYL-GLYCINEH,I4THN0.88
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.88
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.88
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.73
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.73
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.73
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.73
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.73
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.73
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.71
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.71
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.71
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.71
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.74
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.72
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.73
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.71
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.71
ZAL3-cyclohexyl-D-alanineI1HBT0.87
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.81
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.87
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.71
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.71
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.71
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.71
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.71
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.71
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.71
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.72
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.72
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.72
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.71
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.71
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.71
DOA12-AMINO-DODECANOIC ACIDA2DCX0.71
DOA12-AMINO-DODECANOIC ACIDB1EOL0.71
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.79
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.75
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.78
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.78
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.74
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.77
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.73
2ML2-METHYLLEUCINEA,B,C1I1L0.76
2ML2-METHYLLEUCINEA2RM90.76
2ML2-METHYLLEUCINEA2RMD0.76