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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03684416

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,B2COJ0.7
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.7
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.7
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.7
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.71
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.76
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.7
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.7
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.72
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.72
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.72
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVQ0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.74
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.74
ZAL3-cyclohexyl-D-alanineI1HBT0.74
AHHAMINO-HYDROXYHEPTANOIC ACIDA,I3MAT0.73
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.81
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.76
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.76
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.72
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.74
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1OEX0.79
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B,I8HVP0.79
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		A,B1GKT0.79
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID		E,I2ER70.79
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.76
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.76
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		A1FQ70.76
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I4ER10.76
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I3ER30.76
EKE(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACIDA,I2HAL0.75
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.7
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE		C1CWK0.82
HLUBETA-HYDROXYLEUCINEA1ROV0.81
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID		A1FQ40.73
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.72
DFO2,2-DIFLUORO-3-HYDROSTATINEE,I1APV0.85
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.73
NORCYCLOHEXYL-NORSTATINEP1CZI0.73
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.73
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		A,B,I1HIV0.76
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVP0.76
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1E800.91
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1EED0.91
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I2ER00.91
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID		A1FQ80.86
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.79
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.79
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.79
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.79
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.79
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.79
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.79
STASTATINEE1EPP1
STASTATINEI1XN31
STASTATINEA,B,I,J2FIV1
STASTATINEA,B,C,D1QS81
STASTATINEA,B2RMP1
STASTATINEE,I1APU1
STASTATINEA,I1GVU1
STASTATINEI3ER51
STASTATINEI2ER91
STASTATINEE,I4ER21
STASTATINEA,C,I,J,K2B7F1
STASTATINEA,B,C5HVP1
STASTATINEA,I1GVV1
STASTATINEA,I1WKR1
STASTATINEI5APR1
STASTATINEI1PSO1
STASTATINEI6APR1
STASTATINEA1FQ51
STASTATINEA,I3FNT1
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV31
STASTATINEA,B,C,D,I,J1LYB1
STASTATINEB1FIV1
STASTATINEI4APR1
LTA4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTERE,I1APT0.85
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.75
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.72
CHGCYCLOHEXYL-GLYCINEH,I4THN0.72
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.72
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.72
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		A3EMY0.73
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		A2H6T0.73
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,B1LS50.73
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,B1SME0.73
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,C1W6I0.73
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,B1XDH0.73
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,B2QZX0.73
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		A1IZE0.73
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,B1M430.73
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.71
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.79
DH9(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-
2-HEXYL-3-HYDROXYHEXADECANOIC ACID		A,B2PX60.7
DFI2,2-DIFLUOROSTATINEE,I1APW0.93