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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02550103

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID
A1FQ80.8
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.71
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID
A,B,I1HIV0.73
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVP0.73
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.73
DFI2,2-DIFLUOROSTATINEE,I1APW0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.89
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.89
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
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.78
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.78
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.78
NPI2-AMINOPIMELIC ACIDA2TDT0.72
NPI2-AMINOPIMELIC ACIDA1KGQ0.72
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.71
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.78
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.78
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.77
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
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.87
CHGCYCLOHEXYL-GLYCINEH,I4THN0.87
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.87
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.87
STASTATINEE1EPP0.76
STASTATINEI1XN30.76
STASTATINEA,B,I,J2FIV0.76
STASTATINEA,B,C,D1QS80.76
STASTATINEA,B2RMP0.76
STASTATINEE,I1APU0.76
STASTATINEA,I1GVU0.76
STASTATINEI3ER50.76
STASTATINEI2ER90.76
STASTATINEE,I4ER20.76
STASTATINEA,C,I,J,K2B7F0.76
STASTATINEA,B,C5HVP0.76
STASTATINEA,I1GVV0.76
STASTATINEA,I1WKR0.76
STASTATINEI5APR0.76
STASTATINEI1PSO0.76
STASTATINEI6APR0.76
STASTATINEA1FQ50.76
STASTATINEA,I3FNT0.76
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.76
STASTATINEA,B,C,D,I,J1LYB0.76
STASTATINEB1FIV0.76
STASTATINEI4APR0.76
ZAL3-cyclohexyl-D-alanineI1HBT0.89
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.79
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.8
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.84
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.84
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.84
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.73
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.76
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.71
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.71
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID
A1FQ40.74
DFO2,2-DIFLUORO-3-HYDROSTATINEE,I1APV0.74
6CL6-CARBOXYLYSINEU2AIZ0.71
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.79
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.79
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.79
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.79
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.83
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.83
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.83
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.83
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.83
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.83
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.83
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.77
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.72
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.71
API2,6-DIAMINOPIMELIC ACIDA2DAP0.71
API2,6-DIAMINOPIMELIC ACIDE,S148L0.71
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.72
NORCYCLOHEXYL-NORSTATINEP1CZI0.72
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.72
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
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE
C1CWK0.76
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
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.71