MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03434005

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
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1QPA	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1B80	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A	1ROV	0.71
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.71
ASE	N-ACETYL SEROTONIN	A	1NAS	0.79
FBQ	1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL	A	1HBJ	0.71
SRO	SEROTONIN	A,B	3BRN	0.81
SRO	SEROTONIN	A	2QEH	0.81
9CA	9H-CARBAZOLE	A,B,C,D,E,F	2DE7	0.72
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.79
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	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
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1BEU	0.7
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1QOP	0.7
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	2TRS	0.7
IPL	INDOLE-3-PROPANOL PHOSPHATE	A	1WXJ	0.7
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1KFC	0.7
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RU9	0.74
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUM	0.74
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUL	0.74
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUA	0.74
ET0	3-(5-methoxy-1H-indol-3-yl)propanoic acid	A,B	3ET0	0.72
TPL	TRYPTOPHANOL	A	1EE7	0.74
GK1	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin- 7-yl}-1,3-thiazole-2-carbaldehyde	A	2ZAZ	0.7
134	6-FLUORO-2-[2-HYDROXY-3-(2-METHYL- CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE- 5-CARBOXAMIDINE	B	1GJ9	0.71
CR3	2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE	A	1O2H	0.7
EI1	3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL	A,B	2QAB	0.72
DPS	3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID	A	1CAQ	0.7
DPS	3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID	A	1CIZ	0.7
0AF	7-hydroxy-L-tryptophan	L	1MAE	0.71
0AF	7-hydroxy-L-tryptophan	L	1MAF	0.71
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.71
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.71
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.71
6MR	N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]- D-TRYPTOPHAN	A,B	2OW0	0.7
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.72
IOK	N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE	A,B	2IOK	0.78
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.7
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A	1A53	0.72
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	2RHG	0.72
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1KFB	0.72
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	2RH9	0.72
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1A5B	0.72
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1QOQ	0.72
132	6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE	H	1O5E	0.76
132	6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE	B	1GJ7	0.76
132	6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE	H,I	1GJ4	0.76
132	6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE	A	1GJ6	0.76
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.71
IOP	INDOLYLPROPIONIC ACID	A,B	1AHF	0.71
IOP	INDOLYLPROPIONIC ACID	A	2OLI	0.71
IOP	INDOLYLPROPIONIC ACID	A,B	2AY5	0.71
ET1	3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid	A	3ET3	0.71
ET1	3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid	A,B	3ET1	0.71
ET1	3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid	A,B	3ET2	0.71
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	1K83	0.74
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L, M,T	2VUM	0.74
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	3CQZ	0.74
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.71
IOS	3-SULFOOXY-1H-INDOLE	A,B	2BXH	0.74
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.72
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.72
824	9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE	A	1X8B	0.71
7NH	[2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA	H	2FLR	0.76
22M	2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE	A	2G5V	0.72
2MI	2-METHYL-1H-INDOLE	A	2PIO	0.71
ML1	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide	A,B	2QX4	0.73
ML1	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide	A,B	2QX6	0.73
ML1	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide	A,B	2QWX	0.73
ITR	IMINO-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.71
130	2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE	B	1GJB	0.7
130	2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE	H,I	1GJ5	0.7
130	2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE	B	1GJC	0.7
MI2	2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE	A	2G8T	0.72
MHC	3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE	A	1NBP	0.71
SIE	SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)- 1H-INDOL-6-YL ESTER	A	2BRP	0.74
P13	N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL- 5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE	B	1UTS	0.71
ML2	N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide	A,B	2QX9	0.73
ML2	N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide	A,B	2QX8	0.73
HRP	5-HYDROXY-L-TRYPTOPHAN	B	1YIA	0.75
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.7
TFL	2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY- 3-METHYL-1,3-BENZOTHIAZOL-3-IUM	A	2J3Q	0.75
124	2-(2-HYDROXY-PHENYL)-1H-INDOLE- 5-CARBOXAMIDINE	A	1GI6	0.81
CAU	(2S)-1-(9H-Carbazol-4-yloxy)-3- (isopropylamino)propan-2-ol	A	2RH1	0.73
783	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-5-METHOXY-1,1'-BIPHENYL-2- OLATE	A	1O2T	0.74
PLT	[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL- PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE	B	2TYS	0.71
3ID	3H-INDOLE-5,6-DIOL	A	1F9B	0.75
3ID	3H-INDOLE-5,6-DIOL	A	1OYO	0.75
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.71
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.71
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AH0	0.77
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AGZ	0.77
PZZ	3-{3-[(DIMETHYLAMINO)METHYL]-1H- INDOL-7-YL}PROPAN-1-OL	A	2QHW	0.71
792	N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}- 5-methyl-D-tryptophan	A,B,C,D	3G42	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.71
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.71
696	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	A	1O3G	0.79
696	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	A	1O3E	0.79
696	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	H,I	1O2G	0.79
696	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	B	1O5A	0.79
696	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	A	1O3F	0.79
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2I0S	0.71
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2HXC	0.71
23M	2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE	A	2G5N	0.72
DAP	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE	A	1D30	0.71
DAP	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE	A	432D	0.71
4EA	(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)- 2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE	E	2F7X	0.7
907	2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-BROMO-4-METHYLBENZENOLATE	A	1O3I	0.75
907	2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-BROMO-4-METHYLBENZENOLATE	A	1O3H	0.75