MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02553136

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
LPL	LEU-HYDROXYETHYLENE-LEU	B,D,F,H	1SMR	0.73
NOR	CYCLOHEXYL-NORSTATINE	E,I	1EPN	0.81
NOR	CYCLOHEXYL-NORSTATINE	P	1CZI	0.81
NOR	CYCLOHEXYL-NORSTATINE	A,I	1GVT	0.81
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	1QJ3	0.72
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B,C,D	3FMI	0.72
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	3DU4	0.72
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3HF0	0.73
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A,B,D,E,F	3FDM	0.73
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3C3H	0.73
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EJX	0.72
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKE	0.72
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
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.81
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.81
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.81
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.81
DOA	12-AMINO-DODECANOIC ACID	B	1EOJ	0.7
DOA	12-AMINO-DODECANOIC ACID	A,D	1H8T	0.7
DOA	12-AMINO-DODECANOIC ACID	A	2DCX	0.7
DOA	12-AMINO-DODECANOIC ACID	B	1EOL	0.7
CPV	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVQ	0.73
DNN	7,8-DIAMINO-NONANOIC ACID	A	1DAH	0.73
DNN	7,8-DIAMINO-NONANOIC ACID	A	1A82	0.73
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COJ	0.73
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B,C	2EJ3	0.73
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2A1H	0.73
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COI	0.73
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	A,B,I	1HIV	0.7
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVP	0.7
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
NLK	(2R,5S)-5-amino-2-butyl-4-oxononanoic acid	A,B,I	3DCK	0.72
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	A	1FQ7	0.74
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	4ER1	0.74
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	3ER3	0.74
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1E80	0.74
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1EED	0.74
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	2ER0	0.74
HHK	(2S)-2,8-DIAMINOOCTANOIC ACID	A	1XY8	0.7
AFC	(3R,12R)-3-AMINO-12-METHYLTETRADECANAL	A	2IGZ	0.71
AHY	(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID	A,D	2J9A	0.7
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A	3C3G	0.73
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C	2OXJ	0.73
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C,D	3C3F	0.73
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A,B,C	3HEZ	0.73
B3K	(3S)-3,7-DIAMINOHEPTANOIC ACID	A	2OXK	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5Z	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	5GDS	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2A2X	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FEQ	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2ANK	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,C,D	3DPP	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1EB1	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1NZQ	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1HBT	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D6E	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B	1B3H	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FES	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	C,D,E,G,H	3DPQ	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1THS	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1QUR	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D	3DPO	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	4THN	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,D	1D5M	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1O0D	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1XRZ	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5X	0.83
IKT	3-(1-AMINOETHYL)NONANEDIOIC ACID	A	1DAE	0.78
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
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1OEX	0.7
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B,I	8HVP	0.7
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1GKT	0.7
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	E,I	2ER7	0.7
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.83
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EKM	0.72
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKJ	0.72
PB1	3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID	A,B	1PV8	0.73
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.8
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.8