MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03033179

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
MKE	(4S)-4-AMINO-5-OXOHEXANOIC ACID	A,I	2HAL	0.76
DFI	2,2-DIFLUOROSTATINE	E,I	1APW	0.71
CPV	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOPROPYL-HEXANOIC ACID	I	1IVQ	0.72
LPL	LEU-HYDROXYETHYLENE-LEU	B,D,F,H	1SMR	0.74
API	2,6-DIAMINOPIMELIC ACID	A,B	1E8C	0.74
API	2,6-DIAMINOPIMELIC ACID	A	2DAP	0.74
API	2,6-DIAMINOPIMELIC ACID	E,S	148L	0.74
DNN	7,8-DIAMINO-NONANOIC ACID	A	1DAH	0.75
DNN	7,8-DIAMINO-NONANOIC ACID	A	1A82	0.75
SHR	N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID	A,B,C,D,E,F, G,H	1E5Q	0.7
IKT	3-(1-AMINOETHYL)NONANEDIOIC ACID	A	1DAE	0.88
6CL	6-CARBOXYLYSINE	U	2AIZ	0.74
TMD	(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N- DIMETHYL-THREONINE	C	1CWK	0.72
SYM	2S,4R-4-METHYLGLUTAMATE	A,B	1SD3	0.75
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EJX	0.84
ZDP	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKE	0.84
MNL	4,N-DIMETHYLNORLEUCINE	C	1CWC	0.72
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.79
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.79
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.79
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.79
NPI	2-AMINOPIMELIC ACID	A	2TDT	0.73
NPI	2-AMINOPIMELIC ACID	A	1KGQ	0.73
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COJ	0.74
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B,C	2EJ3	0.74
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2A1H	0.74
GBN	[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID	A,B	2COI	0.74
CFS	4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO- 3-HYDROXY-PENTANOIC ACID	A	1FQ8	0.73
ONL	5-OXO-L-NORLEUCINE	A,B	1ECG	0.77
ONL	5-OXO-L-NORLEUCINE	A,B,C,D	3DLA	0.77
ONL	5-OXO-L-NORLEUCINE	A,X	2Q3Z	0.77
ONL	5-OXO-L-NORLEUCINE	A,B	1ECC	0.77
ONL	5-OXO-L-NORLEUCINE	A,B	3BRM	0.77
ONL	5-OXO-L-NORLEUCINE	A,B	1OFE	0.77
ONL	5-OXO-L-NORLEUCINE	A,B	2J6H	0.77
LTA	4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER	E,I	1APT	0.72
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	A	1FQ7	0.71
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	4ER1	0.71
CAL	5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOBUTYL-HEXANOIC ACID	I	3ER3	0.71
NLH	(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid	A,B,I	3DCR	0.81
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A,B,C,D,E,F	3EKM	0.84
ZDR	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID	A	2GKJ	0.84
MEG	(2S,3R)-3-METHYL-GLUTAMIC ACID	A	1T5N	0.75
MEG	(2S,3R)-3-METHYL-GLUTAMIC ACID	A	1T5M	0.75
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
HHK	(2S)-2,8-DIAMINOOCTANOIC ACID	A	1XY8	0.77
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.81
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1CEB	0.71
AMH	TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1B2I	0.71
2CG	(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane- 1,2-dicarboxylic acid	A,B	2E4V	0.71
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	1QJ3	0.79
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B,C,D	3FMI	0.79
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	3DU4	0.79
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
AHP	2-AMINO-HEPTANOIC ACID	D	1J4X	0.73
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5Z	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	5GDS	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2A2X	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FEQ	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2ANK	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,C,D	3DPP	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1EB1	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1NZQ	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1HBT	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D6E	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B	1B3H	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FES	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	C,D,E,G,H	3DPQ	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1THS	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1QUR	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D	3DPO	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	4THN	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,D	1D5M	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1O0D	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1XRZ	0.81
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5X	0.81
NLK	(2R,5S)-5-amino-2-butyl-4-oxononanoic acid	A,B,I	3DCK	0.81
PB1	3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID	A,B	1PV8	0.74
DON	6-DIAZENYL-5-OXO-L-NORLEUCINE	A,B	2OSU	0.75
DFO	2,2-DIFLUORO-3-HYDROSTATINE	E,I	1APV	0.77
CHF	CYCLOHEXYLFLUOROSTATONE	E	1EPR	0.79
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	1OD1	0.79
CHF	CYCLOHEXYLFLUOROSTATONE	A,I	2JXR	0.79
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2VS2	0.79
CHF	CYCLOHEXYLFLUOROSTATONE	I	1EPO	0.79
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJJ	0.79
CHF	CYCLOHEXYLFLUOROSTATONE	A,B	2JJI	0.79
CYD	2-AMINO-6-(CYSTEIN-S-YL)-5-OXO- HEXANOIC ACID	A	2V4U	0.72
CYD	2-AMINO-6-(CYSTEIN-S-YL)-5-OXO- HEXANOIC ACID	A,B	1OX4	0.72
LME	(3R)-3-METHYL-L-GLUTAMIC ACID	A	1XT7	0.75
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
26P	2-AMINO-6-OXOPIMELIC ACID	A	3TDT	0.71