MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00457553

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
NLK	(2R,5S)-5-amino-2-butyl-4-oxononanoic acid	A,B,I	3DCK	0.73
DFI	2,2-DIFLUOROSTATINE	E,I	1APW	0.71
IKT	3-(1-AMINOETHYL)NONANEDIOIC ACID	A	1DAE	0.8
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COJ	0.72
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B,C	2EJ3	0.72
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2A1H	0.72
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COI	0.72
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
NLH	(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid	A,B,I	3DCR	0.73
CPV	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVQ	0.74
TMD	(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N- DIMETHYL-THREONINE	C	1CWK	0.7
NOR	CYCLOHEXYL-NORSTATINE	E,I	1EPN	0.82
NOR	CYCLOHEXYL-NORSTATINE	P	1CZI	0.82
NOR	CYCLOHEXYL-NORSTATINE	A,I	1GVT	0.82
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C	3HEZ	0.74
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A,B,C,D	3C3F	0.74
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3HF0	0.74
BIL	(3R,4S)-3-amino-4-methylhexanoic acid	A	3C3G	0.74
CHF	CYCLOHEXYLFLUOROSTATONE	E	1EPR	0.72
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	1OD1	0.72
CHF	CYCLOHEXYLFLUOROSTATONE	A,I	2JXR	0.72
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2VS2	0.72
CHF	CYCLOHEXYLFLUOROSTATONE	I	1EPO	0.72
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJJ	0.72
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJI	0.72
CFS	4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO- 3-HYDROXY-PENTANOIC ACID	A	1FQ8	0.73
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	A	1FQ7	0.76
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	4ER1	0.76
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	3ER3	0.76
LTA	4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER	E,I	1APT	0.72
PB1	3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID	A,B	1PV8	0.72
AHY	(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID	A,D	2J9A	0.72
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	1QJ3	0.71
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B,C,D	3FMI	0.71
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	3DU4	0.71
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.76
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.76
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1OEX	0.74
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B,I	8HVP	0.74
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1GKT	0.74
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	E,I	2ER7	0.74
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.74
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.74
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.74
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.74
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
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
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1E80	0.77
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1EED	0.77
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	2ER0	0.77
LPL	LEU-HYDROXYETHYLENE-LEU	B,D,F,H	1SMR	0.76
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	A,B,I	1HIV	0.71
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVP	0.71
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
PCE	2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY- BUTYL)-PENT-4-YNOIC ACID	A	1FQ4	0.7
STA	STATINE	E	1EPP	0.77
STA	STATINE	I	1XN3	0.77
STA	STATINE	A,B,I,J	2FIV	0.77
STA	STATINE	A,B,C,D	1QS8	0.77
STA	STATINE	A,B	2RMP	0.77
STA	STATINE	E,I	1APU	0.77
STA	STATINE	A,I	1GVU	0.77
STA	STATINE	I	3ER5	0.77
STA	STATINE	I	2ER9	0.77
STA	STATINE	E,I	4ER2	0.77
STA	STATINE	A,C,I,J,K	2B7F	0.77
STA	STATINE	A,B,C	5HVP	0.77
STA	STATINE	A,I	1GVV	0.77
STA	STATINE	A,I	1WKR	0.77
STA	STATINE	I	5APR	0.77
STA	STATINE	I	1PSO	0.77
STA	STATINE	I	6APR	0.77
STA	STATINE	A	1FQ5	0.77
STA	STATINE	A,I	3FNT	0.77
STA	STATINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.77
STA	STATINE	A,B,C,D,I,J	1LYB	0.77
STA	STATINE	B	1FIV	0.77
STA	STATINE	I	4APR	0.77
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3H	0.74
B3L	(3S)-3-amino-5-methylhexanoic acid	A	3C3G	0.74
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C,D	3C3F	0.74
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,C	3HEZ	0.74
B3L	(3S)-3-amino-5-methylhexanoic acid	A,B,D,E,F	3FDM	0.74