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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02903169

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1E800.82
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1EED0.82
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I2ER00.82
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.81
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		A3EMY0.79
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		A2H6T0.79
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,B1LS50.79
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,B1SME0.79
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,C1W6I0.79
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,B1XDH0.79
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,B2QZX0.79
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		A1IZE0.79
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,B1M430.79
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.71
DH9(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-
2-HEXYL-3-HYDROXYHEXADECANOIC ACID		A,B2PX60.8
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		A1FQ70.72
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I4ER10.72
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I3ER30.72
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.74
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.74
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.74
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.74
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.71
AHS(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-ISOBUTYL-CARBAMIC ACID		I5ER20.72
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		A,B,I1HIV0.72
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVP0.72
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide		2,H,K,N,V,Y3D290.71
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide		A,B,C3DV10.74
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVQ0.71
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A1L7G0.7
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A2HTU0.7
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A2F100.7
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A1L7H0.7
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A1L7F0.7
DFI2,2-DIFLUOROSTATINEE,I1APW0.72
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID		A1FQ80.78
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.71
LTA4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTERE,I1APT0.73
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.71
STASTATINEE1EPP0.77
STASTATINEI1XN30.77
STASTATINEA,B,I,J2FIV0.77
STASTATINEA,B,C,D1QS80.77
STASTATINEA,B2RMP0.77
STASTATINEE,I1APU0.77
STASTATINEA,I1GVU0.77
STASTATINEI3ER50.77
STASTATINEI2ER90.77
STASTATINEE,I4ER20.77
STASTATINEA,C,I,J,K2B7F0.77
STASTATINEA,B,C5HVP0.77
STASTATINEA,I1GVV0.77
STASTATINEA,I1WKR0.77
STASTATINEI5APR0.77
STASTATINEI1PSO0.77
STASTATINEI6APR0.77
STASTATINEA1FQ50.77
STASTATINEA,I3FNT0.77
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.77
STASTATINEA,B,C,D,I,J1LYB0.77
STASTATINEB1FIV0.77
STASTATINEI4APR0.77