MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02398191

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
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COJ	0.7
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B,C	2EJ3	0.7
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2A1H	0.7
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COI	0.7
KAH	5-AMINO-4-HYDROXYHEXANOIC ACID	A	1H7P	0.71
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3HF0	0.75
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A,B,D,E,F	3FDM	0.75
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3C3H	0.75
NLH	(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid	A,B,I	3DCR	0.72
CHF	CYCLOHEXYLFLUOROSTATONE	E	1EPR	0.7
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	1OD1	0.7
CHF	CYCLOHEXYLFLUOROSTATONE	A,I	2JXR	0.7
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2VS2	0.7
CHF	CYCLOHEXYLFLUOROSTATONE	I	1EPO	0.7
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJJ	0.7
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJI	0.7
ILX	4,5-DIHYDROXYISOLEUCINE	A,B,C,I,J,L,M	3CQZ	0.72
ILX	4,5-DIHYDROXYISOLEUCINE	A,B,C,I,J,L,M	1K83	0.72
ILX	4,5-DIHYDROXYISOLEUCINE	A,B,C,I,J,L, M,T	2VUM	0.72
NOR	CYCLOHEXYL-NORSTATINE	E,I	1EPN	0.8
NOR	CYCLOHEXYL-NORSTATINE	P	1CZI	0.8
NOR	CYCLOHEXYL-NORSTATINE	A,I	1GVT	0.8
AHH	AMINO-HYDROXYHEPTANOIC ACID	A,I	3MAT	0.75
CFS	4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO- 3-HYDROXY-PENTANOIC ACID	A	1FQ8	0.76
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C	3HEZ	0.75
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C,D	3C3F	0.75
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3HF0	0.75
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3C3G	0.75
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1E80	0.81
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1EED	0.81
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	2ER0	0.81
EXY	6-[(2R)-oxiran-2-yl]-L-norleucine	A,B	3DJ8	0.7
STA	STATINE	E	1EPP	0.75
STA	STATINE	I	1XN3	0.75
STA	STATINE	A,B,I,J	2FIV	0.75
STA	STATINE	A,B,C,D	1QS8	0.75
STA	STATINE	A,B	2RMP	0.75
STA	STATINE	E,I	1APU	0.75
STA	STATINE	A,I	1GVU	0.75
STA	STATINE	I	3ER5	0.75
STA	STATINE	I	2ER9	0.75
STA	STATINE	E,I	4ER2	0.75
STA	STATINE	A,C,I,J,K	2B7F	0.75
STA	STATINE	A,B,C	5HVP	0.75
STA	STATINE	A,I	1GVV	0.75
STA	STATINE	A,I	1WKR	0.75
STA	STATINE	I	5APR	0.75
STA	STATINE	I	1PSO	0.75
STA	STATINE	I	6APR	0.75
STA	STATINE	A	1FQ5	0.75
STA	STATINE	A,I	3FNT	0.75
STA	STATINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.75
STA	STATINE	A,B,C,D,I,J	1LYB	0.75
STA	STATINE	B	1FIV	0.75
STA	STATINE	I	4APR	0.75
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	A	1FQ7	0.81
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	4ER1	0.81
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	3ER3	0.81
IKT	3-(1-AMINOETHYL)NONANEDIOIC ACID	A	1DAE	0.73
AHY	(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID	A,D	2J9A	0.72
PB1	3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID	A,B	1PV8	0.7
DFI	2,2-DIFLUOROSTATINE	E,I	1APW	0.72
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.76
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A	3C3G	0.72
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C	2OXJ	0.72
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C,D	3C3F	0.72
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C	3HEZ	0.72
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A	2OXK	0.72
CPV	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVQ	0.8
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3H	0.75
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3G	0.75
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C,D	3C3F	0.75
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C	3HEZ	0.75
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,D,E,F	3FDM	0.75
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	A,B,I	1HIV	0.76
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVP	0.76
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.78
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.78
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.78
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.78
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5Z	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	5GDS	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2A2X	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FEQ	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2ANK	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,C,D	3DPP	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1EB1	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1NZQ	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1HBT	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D6E	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B	1B3H	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FES	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	C,D,E,G,H	3DPQ	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1THS	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1QUR	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D	3DPO	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	4THN	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,D	1D5M	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1O0D	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1XRZ	0.76
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5X	0.76
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1OEX	0.77
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B,I	8HVP	0.77
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1GKT	0.77
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	E,I	2ER7	0.77
PCE	2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY- BUTYL)-PENT-4-YNOIC ACID	A	1FQ4	0.78
TMD	(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N- DIMETHYL-THREONINE	C	1CWK	0.71
DHH	(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACID	A,B,C	1T5F	0.71
LPL	LEU-HYDROXYETHYLENE-LEU	B,D,F,H	1SMR	0.79
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.8
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.8