MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02418282

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
CFS	4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO- 3-HYDROXY-PENTANOIC ACID	A	1FQ8	0.8
NOR	CYCLOHEXYL-NORSTATINE	E,I	1EPN	0.81
NOR	CYCLOHEXYL-NORSTATINE	P	1CZI	0.81
NOR	CYCLOHEXYL-NORSTATINE	A,I	1GVT	0.81
CHA	1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE	A,B	1HRN	0.72
CHA	1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE	A	1EAG	0.72
CHA	1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE	A,B	1BIM	0.72
CHA	1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE	A,B	1BIL	0.72
HLU	BETA-HYDROXYLEUCINE	A	1ROV	0.72
NLH	(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid	A,B,I	3DCR	0.78
CPV	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVQ	0.86
NLK	(2R,5S)-5-amino-2-butyl-4-oxononanoic acid	A,B,I	3DCK	0.75
NPI	2-AMINOPIMELIC ACID	A	2TDT	0.72
NPI	2-AMINOPIMELIC ACID	A	1KGQ	0.72
AHY	(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID	A,D	2J9A	0.76
EXY	6-[(2R)-oxiran-2-yl]-L-norleucine	A,B	3DJ8	0.79
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.78
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.78
ILX	4,5-DIHYDROXYISOLEUCINE	A,B,C,I,J,L,M	3CQZ	0.73
ILX	4,5-DIHYDROXYISOLEUCINE	A,B,C,I,J,L,M	1K83	0.73
ILX	4,5-DIHYDROXYISOLEUCINE	A,B,C,I,J,L, M,T	2VUM	0.73
DDO	6-HYDROXY-D-NORLEUCINE	A,B,C,D	1JSL	0.71
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.86
DHH	(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACID	A,B,C	1T5F	0.75
CHF	CYCLOHEXYLFLUOROSTATONE	E	1EPR	0.74
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	1OD1	0.74
CHF	CYCLOHEXYLFLUOROSTATONE	A,I	2JXR	0.74
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2VS2	0.74
CHF	CYCLOHEXYLFLUOROSTATONE	I	1EPO	0.74
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJJ	0.74
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJI	0.74
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1OEX	0.83
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B,I	8HVP	0.83
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1GKT	0.83
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	E,I	2ER7	0.83
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.88
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.88
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.88
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.88
STA	STATINE	E	1EPP	0.76
STA	STATINE	I	1XN3	0.76
STA	STATINE	A,B,I,J	2FIV	0.76
STA	STATINE	A,B,C,D	1QS8	0.76
STA	STATINE	A,B	2RMP	0.76
STA	STATINE	E,I	1APU	0.76
STA	STATINE	A,I	1GVU	0.76
STA	STATINE	I	3ER5	0.76
STA	STATINE	I	2ER9	0.76
STA	STATINE	E,I	4ER2	0.76
STA	STATINE	A,C,I,J,K	2B7F	0.76
STA	STATINE	A,B,C	5HVP	0.76
STA	STATINE	A,I	1GVV	0.76
STA	STATINE	A,I	1WKR	0.76
STA	STATINE	I	5APR	0.76
STA	STATINE	I	1PSO	0.76
STA	STATINE	I	6APR	0.76
STA	STATINE	A	1FQ5	0.76
STA	STATINE	A,I	3FNT	0.76
STA	STATINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.76
STA	STATINE	A,B,C,D,I,J	1LYB	0.76
STA	STATINE	B	1FIV	0.76
STA	STATINE	I	4APR	0.76
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	1QJ3	0.73
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B,C,D	3FMI	0.73
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	3DU4	0.73
LYZ	5-HYDROXYLYSINE	A,B,C,D	1QGW	0.7
LYZ	5-HYDROXYLYSINE	A,B,C,D	1XG0	0.7
LYZ	5-HYDROXYLYSINE	A,B,C,D	1XF6	0.7
LYZ	5-HYDROXYLYSINE	A,B,C	1YGV	0.7
LYZ	5-HYDROXYLYSINE	A,B,C	1Y0F	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5Z	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	5GDS	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2A2X	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FEQ	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2ANK	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,C,D	3DPP	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1EB1	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1NZQ	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1HBT	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D6E	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B	1B3H	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FES	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	C,D,E,G,H	3DPQ	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1THS	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1QUR	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D	3DPO	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	4THN	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,D	1D5M	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1O0D	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1XRZ	0.86
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5X	0.86
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	A	1FQ7	0.85
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	4ER1	0.85
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	3ER3	0.85
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3HF0	0.72
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A,B,D,E,F	3FDM	0.72
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3C3H	0.72
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EJX	0.73
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKE	0.73
AHH	AMINO-HYDROXYHEPTANOIC ACID	A,I	3MAT	0.74
DA3		A,B	3DAP	0.7
XAO	CYCLOHEXYLMETHYL-2,3-DIHYDROXY- 5-METHYL-HEXYLAMIDE	A	1FQ6	0.73
XAO	CYCLOHEXYLMETHYL-2,3-DIHYDROXY- 5-METHYL-HEXYLAMIDE	I,J	1PSA	0.73
XAO	CYCLOHEXYLMETHYL-2,3-DIHYDROXY- 5-METHYL-HEXYLAMIDE	E,I	1EPQ	0.73
LDO	6-HYDROXY-L-NORLEUCINE	A,B,C,D	1JSR	0.71
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COJ	0.71
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B,C	2EJ3	0.71
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2A1H	0.71
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COI	0.71
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	A,B,I	1HIV	0.8
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVP	0.8
LTA	4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER	E,I	1APT	0.72
KAH	5-AMINO-4-HYDROXYHEXANOIC ACID	A	1H7P	0.72
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C	3HEZ	0.71
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C,D	3C3F	0.71
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3HF0	0.71
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3C3G	0.71
PCE	2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY- BUTYL)-PENT-4-YNOIC ACID	A	1FQ4	0.84
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1E80	0.85
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1EED	0.85
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	2ER0	0.85
6CL	6-CARBOXYLYSINE	U	2AIZ	0.71
AHP	2-AMINO-HEPTANOIC ACID	D	1J4X	0.72
API	2,6-DIAMINOPIMELIC ACID	A,B	1E8C	0.71
API	2,6-DIAMINOPIMELIC ACID	A	2DAP	0.71
API	2,6-DIAMINOPIMELIC ACID	E,S	148L	0.71
IKT	3-(1-AMINOETHYL)NONANEDIOIC ACID	A	1DAE	0.74
LPL	LEU-HYDROXYETHYLENE-LEU	B,D,F,H	1SMR	0.83
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EKM	0.73
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKJ	0.73
TMD	(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N- DIMETHYL-THREONINE	C	1CWK	0.79
DFI	2,2-DIFLUOROSTATINE	E,I	1APW	0.73
HHK	(2S)-2,8-DIAMINOOCTANOIC ACID	A	1XY8	0.74