MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01072061

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
LDO	6-HYDROXY-L-NORLEUCINE	A,B,C,D	1JSR	0.78
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	A	1FQ7	0.86
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	4ER1	0.86
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	3ER3	0.86
CHF	CYCLOHEXYLFLUOROSTATONE	E	1EPR	0.75
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	1OD1	0.75
CHF	CYCLOHEXYLFLUOROSTATONE	A,I	2JXR	0.75
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2VS2	0.75
CHF	CYCLOHEXYLFLUOROSTATONE	I	1EPO	0.75
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJJ	0.75
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJI	0.75
LPL	LEU-HYDROXYETHYLENE-LEU	B,D,F,H	1SMR	0.85
API	2,6-DIAMINOPIMELIC ACID	A,B	1E8C	0.72
API	2,6-DIAMINOPIMELIC ACID	A	2DAP	0.72
API	2,6-DIAMINOPIMELIC ACID	E,S	148L	0.72
6CL	6-CARBOXYLYSINE	U	2AIZ	0.72
DNN	7,8-DIAMINO-NONANOIC ACID	A	1DAH	0.7
DNN	7,8-DIAMINO-NONANOIC ACID	A	1A82	0.7
OIC	OCTAHYDROINDOLE-2-CARBOXYLIC ACID	B,C	3BV9	0.74
OIC	OCTAHYDROINDOLE-2-CARBOXYLIC ACID	A	1BDK	0.74
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
NOR	CYCLOHEXYL-NORSTATINE	E,I	1EPN	0.8
NOR	CYCLOHEXYL-NORSTATINE	P	1CZI	0.8
NOR	CYCLOHEXYL-NORSTATINE	A,I	1GVT	0.8
MNL	4,N-DIMETHYLNORLEUCINE	C	1CWC	0.7
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
AHH	AMINO-HYDROXYHEPTANOIC ACID	A,I	3MAT	0.73
CFS	4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO- 3-HYDROXY-PENTANOIC ACID	A	1FQ8	0.81
EXY	6-[(2R)-oxiran-2-yl]-L-norleucine	A,B	3DJ8	0.8
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	A,B,I	1HIV	0.78
CAV	5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVP	0.78
CHA	1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE	A,B	1HRN	0.73
CHA	1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE	A	1EAG	0.73
CHA	1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE	A,B	1BIM	0.73
CHA	1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE	A,B	1BIL	0.73
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3HF0	0.7
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A,B,D,E,F	3FDM	0.7
XCP	(1S,2S)-2-aminocyclopentanecarboxylic acid	A	3C3H	0.7
HLU	BETA-HYDROXYLEUCINE	A	1ROV	0.73
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	1QJ3	0.74
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B,C,D	3FMI	0.74
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	3DU4	0.74
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EJX	0.74
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKE	0.74
NPI	2-AMINOPIMELIC ACID	A	2TDT	0.73
NPI	2-AMINOPIMELIC ACID	A	1KGQ	0.73
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.89
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.89
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.89
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.89
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1OEX	0.85
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B,I	8HVP	0.85
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	A,B	1GKT	0.85
LOV	5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID	E,I	2ER7	0.85
CPV	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVQ	0.87
IKT	3-(1-AMINOETHYL)NONANEDIOIC ACID	A	1DAE	0.75
RPH	6-HYDROXO-OCTAHYDRO-INDOLE-2-CARBALDEHYDE	H,I	1A2C	0.73
PB1	3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID	A,B	1PV8	0.72
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EKM	0.74
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKJ	0.74
XAO	CYCLOHEXYLMETHYL-2,3-DIHYDROXY- 5-METHYL-HEXYLAMIDE	A	1FQ6	0.71
XAO	CYCLOHEXYLMETHYL-2,3-DIHYDROXY- 5-METHYL-HEXYLAMIDE	I,J	1PSA	0.71
XAO	CYCLOHEXYLMETHYL-2,3-DIHYDROXY- 5-METHYL-HEXYLAMIDE	E,I	1EPQ	0.71
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.88
NLH	(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid	A,B,I	3DCR	0.79
DDO	6-HYDROXY-D-NORLEUCINE	A,B,C,D	1JSL	0.78
TMD	(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N- DIMETHYL-THREONINE	C	1CWK	0.8
PCE	2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY- BUTYL)-PENT-4-YNOIC ACID	A	1FQ4	0.85
AHP	2-AMINO-HEPTANOIC ACID	D	1J4X	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5Z	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	5GDS	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2A2X	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FEQ	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2ANK	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,C,D	3DPP	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1EB1	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1NZQ	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1HBT	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D6E	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B	1B3H	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FES	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	C,D,E,G,H	3DPQ	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1THS	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1QUR	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D	3DPO	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	4THN	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,D	1D5M	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1O0D	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1XRZ	0.88
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5X	0.88
KAH	5-AMINO-4-HYDROXYHEXANOIC ACID	A	1H7P	0.74
LYZ	5-HYDROXYLYSINE	A,B,C,D	1QGW	0.71
LYZ	5-HYDROXYLYSINE	A,B,C,D	1XG0	0.71
LYZ	5-HYDROXYLYSINE	A,B,C,D	1XF6	0.71
LYZ	5-HYDROXYLYSINE	A,B,C	1YGV	0.71
LYZ	5-HYDROXYLYSINE	A,B,C	1Y0F	0.71
HHK	(2S)-2,8-DIAMINOOCTANOIC ACID	A	1XY8	0.75
LTA	4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER	E,I	1APT	0.73
AHY	(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID	A,D	2J9A	0.75
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1E80	0.86
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1EED	0.86
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	2ER0	0.86
DHH	(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACID	A,B,C	1T5F	0.76
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.8
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.8
NLK	(2R,5S)-5-amino-2-butyl-4-oxononanoic acid	A,B,I	3DCK	0.79
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
DFI	2,2-DIFLUOROSTATINE	E,I	1APW	0.74