MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02265168

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
172	2-AMINO-5-HYDROXY-BENZIMIDAZOLE	A	1FV9	0.72
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A	1A53	0.73
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	2RHG	0.73
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1KFB	0.73
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	2RH9	0.73
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1A5B	0.73
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1QOQ	0.73
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1QPA	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1B80	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A	1ROV	0.71
TPL	TRYPTOPHANOL	A	1EE7	0.73
124	2-(2-HYDROXY-PHENYL)-1H-INDOLE- 5-CARBOXAMIDINE	A	1GI6	0.75
39Z	5-HYDROXY-3-[(1R)-1-(1H-PYRROL- 2-YL)ETHYL]-2H-INDOL-2-ONE	A	2PE0	0.79
HRM	7-METHOXY-1-METHYL-9H-BETA-CARBOLINE	A	2Z5X	0.72
HRM	7-METHOXY-1-METHYL-9H-BETA-CARBOLINE	A	2Z5Y	0.72
PBQ	PENTABROMOPSEUDILIN	A	2JHR	0.71
CK5	3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YLAMINO]-PHENOL	A	1PXM	0.71
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.71
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.71
PXM	4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL	A	1RFT	0.72
PXM	4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL	A,B	2Z9V	0.72
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.73
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.71
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.71
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2I0S	0.72
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2HXC	0.72
1TQ	6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN	D,H	2OK6	0.7
1TQ	6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN	D,H	2I0R	0.7
3ID	3H-INDOLE-5,6-DIOL	A	1F9B	0.8
3ID	3H-INDOLE-5,6-DIOL	A	1OYO	0.8
ASE	N-ACETYL SEROTONIN	A	1NAS	0.82
5OB	5-METHOXYBENZIMIDAZOLE	A	1JHP	0.7
HRP	5-HYDROXY-L-TRYPTOPHAN	B	1YIA	0.79
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.7
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.7
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.7
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.7
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.72
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.72
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.72
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.72
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RU9	0.77
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUM	0.77
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUL	0.77
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUA	0.77
ET0	3-(5-methoxy-1H-indol-3-yl)propanoic acid	A,B	3ET0	0.74
CQA	4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL	A,B	2AOU	0.73
121	2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE	H,I,L	1GHY	0.72
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.71
SRO	SEROTONIN	A,B	3BRN	0.86
SRO	SEROTONIN	A	2QEH	0.86
ALH	6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE	A,B	1UNG	0.71
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	1K83	0.76
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L, M,T	2VUM	0.76
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	3CQZ	0.76
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.7
ML1	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide	A,B	2QX4	0.75
ML1	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide	A,B	2QX6	0.75
ML1	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide	A,B	2QWX	0.75
7NH	[2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA	H	2FLR	0.76
P3T	(4-{[(4-AMINOBUTYL)AMINO]METHYL}- 5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE	A,B	2PLJ	0.71
CK6	4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL- 5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL	A	1PXN	0.74
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AH0	0.75
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AGZ	0.75
0AF	7-hydroxy-L-tryptophan	L	1MAE	0.74
0AF	7-hydroxy-L-tryptophan	L	1MAF	0.74
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.73
MSR	4-(1H-IMIDAZOL-1-YL)PHENOL	A	2ORQ	0.77
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.71
IOK	N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE	A,B	2IOK	0.71
ML2	N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide	A,B	2QX9	0.7
ML2	N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide	A,B	2QX8	0.7
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.72
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.72
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.72
IND	INDOLE	A	1L4H	0.71
IND	INDOLE	A,B,G	1O7N	0.71
IND	INDOLE	A	185L	0.71
IND	INDOLE	A,B	1EG9	0.71
IND	INDOLE	A,B	1UUV	0.71
IND	INDOLE	A,C,E	2B24	0.71
IND	INDOLE	A,B,C,D,E,F	2P85	0.71
IOS	3-SULFOOXY-1H-INDOLE	A,B	2BXH	0.78
4EA	(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)- 2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE	E	2F7X	0.7