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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03854218

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.78
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.78
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.78
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.78
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1HRN0.72
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA1EAG0.72
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1BIM0.72
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1BIL0.72
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1OEX0.8
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B,I8HVP0.8
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1GKT0.8
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		E,I2ER70.8
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE		A1FQ60.72
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE		I,J1PSA0.72
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE		E,I1EPQ0.72
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.71
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,F3EJX0.72
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.72
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.75
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.81
CHGCYCLOHEXYL-GLYCINEH,I4THN0.81
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.81
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.81
HLUBETA-HYDROXYLEUCINEA1ROV0.74
LTA4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTERE,I1APT0.83
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.81
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID		A1FQ80.94
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.72
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.75
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.75
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID		A1FQ40.81
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE		C1CWK0.83
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.8
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.7
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.78
NORCYCLOHEXYL-NORSTATINEP1CZI0.78
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.78
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
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A3EMY0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A2H6T0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1LS50.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1SME0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,C1W6I0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1XDH0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B2QZX0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A1IZE0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1M430.7
ZAL3-cyclohexyl-D-alanineI1HBT0.82
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		A,B,I1HIV0.81
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVP0.81
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.73
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.88
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.88
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.88
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.88
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.88
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.88
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.88
DFI2,2-DIFLUOROSTATINEE,I1APW0.85
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.72
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.72
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1E801
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1EED1
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I2ER01
DFO2,2-DIFLUORO-3-HYDROSTATINEE,I1APV0.78
STASTATINEE1EPP0.91
STASTATINEI1XN30.91
STASTATINEA,B,I,J2FIV0.91
STASTATINEA,B,C,D1QS80.91
STASTATINEA,B2RMP0.91
STASTATINEE,I1APU0.91
STASTATINEA,I1GVU0.91
STASTATINEI3ER50.91
STASTATINEI2ER90.91
STASTATINEE,I4ER20.91
STASTATINEA,C,I,J,K2B7F0.91
STASTATINEA,B,C5HVP0.91
STASTATINEA,I1GVV0.91
STASTATINEA,I1WKR0.91
STASTATINEI5APR0.91
STASTATINEI1PSO0.91
STASTATINEI6APR0.91
STASTATINEA1FQ50.91
STASTATINEA,I3FNT0.91
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.91
STASTATINEA,B,C,D,I,J1LYB0.91
STASTATINEB1FIV0.91
STASTATINEI4APR0.91
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.73
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		A1FQ70.82
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I4ER10.82
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I3ER30.82
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVQ0.83