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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02361202

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.71
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.71
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.75
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.75
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.78
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.7
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.7
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.7
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.75
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.75
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
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
A1FQ70.75
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I4ER10.75
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I3ER30.75
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.81
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.81
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.81
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.81
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.76
CHGCYCLOHEXYL-GLYCINEH,I4THN0.76
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.76
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.76
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.78
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.75
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.75
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.79
ZAL3-cyclohexyl-D-alanineI1HBT0.75
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.74
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.74
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.74
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.74
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.71
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.71
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.72
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.75
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.75
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.83
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID
A,B,I1HIV0.71
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVP0.71
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID
A1FQ40.72
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.71
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.71
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.71
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.83
UN12-AMINOHEXANEDIOIC ACIDA,B,C,D1H0G0.71