MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00452913

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
047	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE	A,B	2PJL	0.78
DAP	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE	A	1D30	0.74
DAP	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE	A	432D	0.74
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.73
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.73
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.73
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.73
SBS	(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE	A	1IF8	0.73
9CA	9H-CARBAZOLE	A,B,C,D,E,F	2DE7	0.77
IAD	N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID	A,B	1K3U	0.7
PZZ	3-{3-[(DIMETHYLAMINO)METHYL]-1H- INDOL-7-YL}PROPAN-1-OL	A	2QHW	0.75
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.71
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	D,H	2OJY	0.8
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	A,D,H	2OIZ	0.8
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE	A	2AAQ	0.7
PAT	ALPHA-PHOSPHONO-TRYPTOPHAN	A,B	1I73	0.74
SRS	4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA- 12(19),13(18),15,17-TETRAENE-10- CARBAMOYL)PENTA-METHYLSULFONEDIIMINE	A	1MMR	0.72
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL	A,B	2DV2	0.74
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL	A,B	2FXJ	0.74
IP6	N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE- 2,3-DIAMINE	A	2OHT	0.74
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE	A	2OHP	0.79
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.7
GM6	3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE	A,B	2DW0	0.72
GM6	3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE	A,B	2ERP	0.72
GM6	3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE	A,B	2DW1	0.72
GM6	3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE	A,B,D,E	2E3X	0.72
GM6	3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE	A,B	1PWU	0.72
I3A	1H-INDOLE-3-CARBALDEHYDE	A,B,C,D	3BWL	0.76
I3A	1H-INDOLE-3-CARBALDEHYDE	A,B	2OU3	0.76
P83	1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine	A,B	2VUK	0.74
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.72
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.87
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.87
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.87
ITR	IMINO-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.75
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	A,B,C,D	1XES	0.73
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	B,C,D	1XET	0.73
6CW	6-CHLORO-L-TRYPTOPHAN	B	2GV2	0.71
6CW	6-CHLORO-L-TRYPTOPHAN	A,B	2AXI	0.71
6CW	6-CHLORO-L-TRYPTOPHAN	A,L,M	3FEA	0.71
6MR	N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]- D-TRYPTOPHAN	A,B	2OW0	0.7
AYM	3-(6-AMINOPYRIDIN-3-YL)-N-METHYL- N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE	A,B	1LXC	0.7
TPL	TRYPTOPHANOL	A	1EE7	0.78
MHC	3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE	A	1NBP	0.75
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.74
DTR	D-TRYPTOPHAN	A,B,C,D	2R3C	0.74
DTR	D-TRYPTOPHAN	A	1XY8	0.74
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5D	0.74
DTR	D-TRYPTOPHAN	A	2V7K	0.74
DTR	D-TRYPTOPHAN	A,D	1CZQ	0.74
DTR	D-TRYPTOPHAN	A	1DFY	0.74
DTR	D-TRYPTOPHAN	A	1XY5	0.74
DTR	D-TRYPTOPHAN	A	1NXN	0.74
DTR	D-TRYPTOPHAN	A	1TKF	0.74
DTR	D-TRYPTOPHAN	A	1YL9	0.74
DTR	D-TRYPTOPHAN	A	1XXZ	0.74
DTR	D-TRYPTOPHAN	A	1XY4	0.74
DTR	D-TRYPTOPHAN	A,D	2Q3I	0.74
DTR	D-TRYPTOPHAN	A	1QFB	0.74
DTR	D-TRYPTOPHAN	A	1DFZ	0.74
DTR	D-TRYPTOPHAN	A	1XY9	0.74
DTR	D-TRYPTOPHAN	A	1XY6	0.74
DTR	D-TRYPTOPHAN	A	2SOC	0.74
DTR	D-TRYPTOPHAN	A	2JUE	0.74
DTR	D-TRYPTOPHAN	A	1SOC	0.74
DTR	D-TRYPTOPHAN	A	1YL8	0.74
DTR	D-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.74
DTR	D-TRYPTOPHAN	A,B	2Q33	0.74
DTR	D-TRYPTOPHAN	A	1DG0	0.74
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5B	0.74
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
4FW	4-FLUOROTRYPTOPHANE	A	1RM9	0.73
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K8Z	0.74
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K7E	0.74
FTR	FLUOROTRYPTOPHANE	A	2JT8	0.73
FTR	FLUOROTRYPTOPHANE	A,B	1NF0	0.73
FTR	FLUOROTRYPTOPHANE	A	2JTZ	0.73
FTR	FLUOROTRYPTOPHANE	A,B	1I45	0.73
FTR	FLUOROTRYPTOPHANE	A,B	2ZNX	0.73
FTR	FLUOROTRYPTOPHANE	A,B	1NEY	0.73
FTR	FLUOROTRYPTOPHANE	A,B	5FWG	0.73
IOP	INDOLYLPROPIONIC ACID	A,B	1AHF	0.76
IOP	INDOLYLPROPIONIC ACID	A	2OLI	0.76
IOP	INDOLYLPROPIONIC ACID	A,B	2AY5	0.76
LTN	L-TRYPTOPHANAMIDE	A	1MAU	0.8
LTN	L-TRYPTOPHANAMIDE	A,B	2QUI	0.8
3IL	3-(INDOL-3-YL) LACTATE	A	2A7P	0.7
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.77
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.77
FT6	6-FLUORO-L-TRYPTOPHAN	A,B	2NW9	0.73
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE	A	1ZS5	0.77
517	1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA	A	2PE1	0.7
IOS	3-SULFOOXY-1H-INDOLE	A,B	2BXH	0.73
BI3	3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE- 2,5-DIONE	A	1UU9	0.7
FIP	5-FLUOROINDOLE PROPANOL PHOSPHATE	A,B	1FUY	0.78
FIP	5-FLUOROINDOLE PROPANOL PHOSPHATE	A,B	1A50	0.78
FIP	5-FLUOROINDOLE PROPANOL PHOSPHATE	A,B	1A5S	0.78
SRO	SEROTONIN	A,B	3BRN	0.72
SRO	SEROTONIN	A	2QEH	0.72
23M	2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE	A	2G5N	0.74
FXN	5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID- (2-MERCAPTO-ETHYL)-AMIDE	A,B	1SHL	0.71
MI2	2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE	A	2G8T	0.73
2MI	2-METHYL-1H-INDOLE	A	2PIO	0.8
C8C	2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin- 4(3H)-one	A	2VA5	0.76
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.72
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1BEU	0.8
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1QOP	0.8
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	2TRS	0.8
IPL	INDOLE-3-PROPANOL PHOSPHATE	A	1WXJ	0.8
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1KFC	0.8
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.85
4IN	4-AMINO-L-TRYPTOPHAN	A,B	2HXX	0.72
4IN	4-AMINO-L-TRYPTOPHAN	A	1OXF	0.72
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
SBB	N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL- BENZAMIDE	A	1IF9	0.74
IAV	N-[1H-INDOL-3-YL-ACETYL]VALINE ACID	A,B	1K7F	0.71
IND	INDOLE	A	1L4H	0.88
IND	INDOLE	A,B,G	1O7N	0.88
IND	INDOLE	A	185L	0.88
IND	INDOLE	A,B	1EG9	0.88
IND	INDOLE	A,B	1UUV	0.88
IND	INDOLE	A,C,E	2B24	0.88
IND	INDOLE	A,B,C,D,E,F	2P85	0.88
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.87
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.87
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.87
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.87
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.72
SBR	(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE	A	1IF7	0.73
22M	2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE	A	2G5V	0.73