MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01742621

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
PZZ	3-{3-[(DIMETHYLAMINO)METHYL]-1H- INDOL-7-YL}PROPAN-1-OL	A	2QHW	0.85
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.82
P83	1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine	A,B	2VUK	0.75
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.74
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE	A	2OHP	0.71
4FW	4-FLUOROTRYPTOPHANE	A	1RM9	0.77
FTR	FLUOROTRYPTOPHANE	A	2JT8	0.77
FTR	FLUOROTRYPTOPHANE	A,B	1NF0	0.77
FTR	FLUOROTRYPTOPHANE	A	2JTZ	0.77
FTR	FLUOROTRYPTOPHANE	A,B	1I45	0.77
FTR	FLUOROTRYPTOPHANE	A,B	2ZNX	0.77
FTR	FLUOROTRYPTOPHANE	A,B	1NEY	0.77
FTR	FLUOROTRYPTOPHANE	A,B	5FWG	0.77
IOP	INDOLYLPROPIONIC ACID	A,B	1AHF	0.8
IOP	INDOLYLPROPIONIC ACID	A	2OLI	0.8
IOP	INDOLYLPROPIONIC ACID	A,B	2AY5	0.8
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.74
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.81
UP3		A	3D8N	0.7
CRZ	4-(9H-CARBAZOL-9-YL)BUTANOIC ACID	A	1TOW	0.75
FIP	5-FLUOROINDOLE PROPANOL PHOSPHATE	A,B	1FUY	0.81
FIP	5-FLUOROINDOLE PROPANOL PHOSPHATE	A,B	1A50	0.81
FIP	5-FLUOROINDOLE PROPANOL PHOSPHATE	A,B	1A5S	0.81
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RU9	0.73
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUM	0.73
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUL	0.73
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUA	0.73
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.72
047	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE	A,B	2PJL	0.72
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	A,B,C,D	1XES	0.77
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	B,C,D	1XET	0.77
A46	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide	A,B	2ZB2	0.72
MI2	2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE	A	2G8T	0.8
BTR	6-BROMO-TRYPTOPHAN	A	1WCT	0.74
IND	INDOLE	A	1L4H	0.77
IND	INDOLE	A,B,G	1O7N	0.77
IND	INDOLE	A	185L	0.77
IND	INDOLE	A,B	1EG9	0.77
IND	INDOLE	A,B	1UUV	0.77
IND	INDOLE	A,C,E	2B24	0.77
IND	INDOLE	A,B,C,D,E,F	2P85	0.77
2MI	2-METHYL-1H-INDOLE	A	2PIO	0.85
MHC	3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE	A	1NBP	0.74
124	2-(2-HYDROXY-PHENYL)-1H-INDOLE- 5-CARBOXAMIDINE	A	1GI6	0.78
IAV	N-[1H-INDOL-3-YL-ACETYL]VALINE ACID	A,B	1K7F	0.72
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	1K83	0.73
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L, M,T	2VUM	0.73
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	3CQZ	0.73
ET0	3-(5-methoxy-1H-indol-3-yl)propanoic acid	A,B	3ET0	0.74
SRO	SEROTONIN	A,B	3BRN	0.8
SRO	SEROTONIN	A	2QEH	0.8
IOK	N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE	A,B	2IOK	0.72
PP9	PROTOPORPHYRIN IX	A	1Z53	0.71
PP9	PROTOPORPHYRIN IX	A,B,C,D	2HRE	0.71
PP9	PROTOPORPHYRIN IX	A,B	2QD5	0.71
PP9	PROTOPORPHYRIN IX	A	1HRS	0.71
PP9	PROTOPORPHYRIN IX	A,B,C,D	2QD1	0.71
23M	2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE	A	2G5N	0.79
DTE	7-CL-D-TRYPTOPHAN	A	2V7M	0.72
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.79
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.79
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.79
696	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	A	1O3G	0.77
696	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	A	1O3E	0.77
696	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	H,I	1O2G	0.77
696	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	B	1O5A	0.77
696	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	A	1O3F	0.77
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.8
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.8
DAP	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE	A	1D30	0.78
DAP	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE	A	432D	0.78
22M	2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE	A	2G5V	0.8
3IL	3-(INDOL-3-YL) LACTATE	A	2A7P	0.82
HRM	7-METHOXY-1-METHYL-9H-BETA-CARBOLINE	A	2Z5X	0.73
HRM	7-METHOXY-1-METHYL-9H-BETA-CARBOLINE	A	2Z5Y	0.73
I3A	1H-INDOLE-3-CARBALDEHYDE	A,B,C,D	3BWL	0.72
I3A	1H-INDOLE-3-CARBALDEHYDE	A,B	2OU3	0.72
WSK	(2S)-1-(3,6-DIBROMO-9H-CARBAZOL- 9-YL)-3-(DIMETHYLAMINO)PROPAN-2- OL	A	1T84	0.71
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.77
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.77
TCR	CYCLOMETHYLTRYPTOPHAN	A	3AIG	0.79
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	D,H	2OJY	0.74
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	A,D,H	2OIZ	0.74
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.76
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K8Z	0.71
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K7E	0.71
ASE	N-ACETYL SEROTONIN	A	1NAS	0.77
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
3LP	1-(CYCLOHEXYLAMINO)-3-(6-METHYL- 3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN- 2-OL	A,B,C,D,E,F	2P6G	0.77
HRP	5-HYDROXY-L-TRYPTOPHAN	B	1YIA	0.73
ML2	N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide	A,B	2QX9	0.75
ML2	N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide	A,B	2QX8	0.75
2S8	(2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid	B	3C6N	0.77
SU1	3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE	A,B	1FGI	0.71
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL	A,B	2DV2	0.82
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL	A,B	2FXJ	0.82
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.82
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.82
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.82
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.82
6CW	6-CHLORO-L-TRYPTOPHAN	B	2GV2	0.74
6CW	6-CHLORO-L-TRYPTOPHAN	A,B	2AXI	0.74
6CW	6-CHLORO-L-TRYPTOPHAN	A,L,M	3FEA	0.74
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1QPA	0.77
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1B80	0.77
HTR	BETA-HYDROXYTRYPTOPHANE	A	1ROV	0.77
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.77
DTR	D-TRYPTOPHAN	A,B,C,D	2R3C	0.79
DTR	D-TRYPTOPHAN	A	1XY8	0.79
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5D	0.79
DTR	D-TRYPTOPHAN	A	2V7K	0.79
DTR	D-TRYPTOPHAN	A,D	1CZQ	0.79
DTR	D-TRYPTOPHAN	A	1DFY	0.79
DTR	D-TRYPTOPHAN	A	1XY5	0.79
DTR	D-TRYPTOPHAN	A	1NXN	0.79
DTR	D-TRYPTOPHAN	A	1TKF	0.79
DTR	D-TRYPTOPHAN	A	1YL9	0.79
DTR	D-TRYPTOPHAN	A	1XXZ	0.79
DTR	D-TRYPTOPHAN	A	1XY4	0.79
DTR	D-TRYPTOPHAN	A,D	2Q3I	0.79
DTR	D-TRYPTOPHAN	A	1QFB	0.79
DTR	D-TRYPTOPHAN	A	1DFZ	0.79
DTR	D-TRYPTOPHAN	A	1XY9	0.79
DTR	D-TRYPTOPHAN	A	1XY6	0.79
DTR	D-TRYPTOPHAN	A	2SOC	0.79
DTR	D-TRYPTOPHAN	A	2JUE	0.79
DTR	D-TRYPTOPHAN	A	1SOC	0.79
DTR	D-TRYPTOPHAN	A	1YL8	0.79
DTR	D-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.79
DTR	D-TRYPTOPHAN	A,B	2Q33	0.79
DTR	D-TRYPTOPHAN	A	1DG0	0.79
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5B	0.79
132	6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE	H	1O5E	0.73
132	6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE	B	1GJ7	0.73
132	6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE	H,I	1GJ4	0.73
132	6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE	A	1GJ6	0.73
TPL	TRYPTOPHANOL	A	1EE7	0.87
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AH0	0.91
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AGZ	0.91
IOS	3-SULFOOXY-1H-INDOLE	A,B	2BXH	0.72
MPE	(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)- ACETIC ACID	A	1M4A	0.77
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.79
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.79
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.79
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.79
ITR	IMINO-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.8
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A	1A53	0.81
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	2RHG	0.81
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1KFB	0.81
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	2RH9	0.81
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1A5B	0.81
IGP	INDOLE-3-GLYCEROL PHOSPHATE	A,B	1QOQ	0.81
9CA	9H-CARBAZOLE	A,B,C,D,E,F	2DE7	0.83
FT6	6-FLUORO-L-TRYPTOPHAN	A,B	2NW9	0.77
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE	A	1ZS5	0.73
3ID	3H-INDOLE-5,6-DIOL	A	1F9B	0.75
3ID	3H-INDOLE-5,6-DIOL	A	1OYO	0.75
TRF	N1-FORMYL-TRYPTOPHAN	A,B	1VRK	0.74
TRF	N1-FORMYL-TRYPTOPHAN	A,B,C,D	1QS7	0.74
RKA	N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE	A	2GYX	0.71
PAT	ALPHA-PHOSPHONO-TRYPTOPHAN	A,B	1I73	0.76
4IN	4-AMINO-L-TRYPTOPHAN	A,B	2HXX	0.77
4IN	4-AMINO-L-TRYPTOPHAN	A	1OXF	0.77
LTN	L-TRYPTOPHANAMIDE	A	1MAU	0.74
LTN	L-TRYPTOPHANAMIDE	A,B	2QUI	0.74
CTE	7-CHLOROTRYPTOPHAN	A	2AR8	0.72
CTE	7-CHLOROTRYPTOPHAN	A	2V7L	0.72
115	7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL- 1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID	A,B,C,D	1HWI	0.72
907	2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-BROMO-4-METHYLBENZENOLATE	A	1O3I	0.73
907	2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-BROMO-4-METHYLBENZENOLATE	A	1O3H	0.73
SIE	SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)- 1H-INDOL-6-YL ESTER	A	2BRP	0.72
783	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-5-METHOXY-1,1'-BIPHENYL-2- OLATE	A	1O2T	0.73
4MF	1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE	C	2OXM	0.72
4MF	1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE	B,C	2OYT	0.72
CAU	(2S)-1-(9H-Carbazol-4-yloxy)-3- (isopropylamino)propan-2-ol	A	2RH1	0.74
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.82
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1BEU	0.83
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1QOP	0.83
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	2TRS	0.83
IPL	INDOLE-3-PROPANOL PHOSPHATE	A	1WXJ	0.83
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1KFC	0.83