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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03729675

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.72
API2,6-DIAMINOPIMELIC ACIDA2DAP0.72
API2,6-DIAMINOPIMELIC ACIDE,S148L0.72
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.73
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.73
DOA12-AMINO-DODECANOIC ACIDA2DCX0.73
DOA12-AMINO-DODECANOIC ACIDB1EOL0.73
6CL6-CARBOXYLYSINEU2AIZ0.72
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.78
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.78
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.83
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.83
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.83
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.73
DFI2,2-DIFLUOROSTATINEE,I1APW0.79
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.77
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.77
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.77
KAH5-AMINO-4-HYDROXYHEXANOIC ACIDA1H7P0.71
LYZ5-HYDROXYLYSINEA,B,C,D1QGW0.74
LYZ5-HYDROXYLYSINEA,B,C,D1XG00.74
LYZ5-HYDROXYLYSINEA,B,C,D1XF60.74
LYZ5-HYDROXYLYSINEA,B,C1YGV0.74
LYZ5-HYDROXYLYSINEA,B,C1Y0F0.74
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.8
AHHAMINO-HYDROXYHEPTANOIC ACIDA,I3MAT0.75
PS6O-[(S)-{[(2S)-2-(hexanoyloxy)-3-
(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-
D-serine
D3D9S0.75
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE
C1CWK0.77
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.71
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.71
LPX(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-
2-hydroxypropyl hexadecanoate
A3CX90.71
KYQ(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-
L-lysine
A,B3C0J0.72
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.72
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.8
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID
A1FQ80.79
HC5(R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-
TRIMETHYLPROPAN-1-AMINIUM
A,B2H3W0.71
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.72
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.72
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.72
EKE(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACIDA,I2HAL0.75
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.71
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.71
LTA4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTERE,I1APT1
STASTATINEE1EPP0.85
STASTATINEI1XN30.85
STASTATINEA,B,I,J2FIV0.85
STASTATINEA,B,C,D1QS80.85
STASTATINEA,B2RMP0.85
STASTATINEE,I1APU0.85
STASTATINEA,I1GVU0.85
STASTATINEI3ER50.85
STASTATINEI2ER90.85
STASTATINEE,I4ER20.85
STASTATINEA,C,I,J,K2B7F0.85
STASTATINEA,B,C5HVP0.85
STASTATINEA,I1GVV0.85
STASTATINEA,I1WKR0.85
STASTATINEI5APR0.85
STASTATINEI1PSO0.85
STASTATINEI6APR0.85
STASTATINEA1FQ50.85
STASTATINEA,I3FNT0.85
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.85
STASTATINEA,B,C,D,I,J1LYB0.85
STASTATINEB1FIV0.85
STASTATINEI4APR0.85
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.73
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.78
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.71
NPI2-AMINOPIMELIC ACIDA2TDT0.71
NPI2-AMINOPIMELIC ACIDA1KGQ0.71
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER
A,B1ME60.72
HLUBETA-HYDROXYLEUCINEA1ROV0.71
DFO2,2-DIFLUORO-3-HYDROSTATINEE,I1APV0.73
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.72
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.72
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.72
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.72
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.72
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.73
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.73
NORCYCLOHEXYL-NORSTATINEP1CZI0.73
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.73
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.72
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.72
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.72
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.72
PDJ(2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE
A2Z820.71
OCBOCTANOYLCARNITINEA,B1XL80.77